Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504837 | 2en7 RC | 10152 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -21.820 -10.776 -0.259
2 HA2 GLY 1 1HA GLY 1 -20.716 -11.928 2.101
3 HA3 GLY 1 2HA GLY 1 -22.167 -12.787 1.606
4 H SER 2 H SER 2 -18.996 -13.069 1.518
5 HA SER 2 HA SER 2 -18.971 -14.955 -0.587
6 HB2 SER 2 1HB SER 2 -18.928 -13.109 -2.107
7 HB3 SER 2 2HB SER 2 -17.707 -12.269 -1.151
8 HG SER 2 HG SER 2 -17.349 -14.018 -3.129
9 H SER 3 H SER 3 -17.017 -16.128 -0.697
10 HA SER 3 HA SER 3 -15.017 -15.426 1.346
11 HB2 SER 3 1HB SER 3 -16.352 -17.182 2.312
12 HB3 SER 3 2HB SER 3 -16.255 -18.138 0.833
13 HG SER 3 HG SER 3 -13.845 -17.410 2.004
14 H GLY 4 H GLY 4 -13.237 -14.931 0.235
15 HA2 GLY 4 1HA GLY 4 -11.727 -16.810 -1.149
16 HA3 GLY 4 2HA GLY 4 -12.647 -15.923 -2.356
17 H SER 5 H SER 5 -12.628 -13.382 -1.531
18 HA SER 5 HA SER 5 -11.385 -11.476 -1.502
19 HB2 SER 5 1HB SER 5 -10.612 -12.669 0.692
20 HB3 SER 5 2HB SER 5 -9.113 -12.942 -0.197
21 HG SER 5 HG SER 5 -8.928 -10.704 -0.470
22 H SER 6 H SER 6 -11.287 -12.988 -3.824
23 HA SER 6 HA SER 6 -8.482 -12.833 -4.685
24 HB2 SER 6 1HB SER 6 -9.884 -14.962 -5.014
25 HB3 SER 6 2HB SER 6 -10.733 -14.062 -6.269
26 HG SER 6 HG SER 6 -7.930 -14.141 -6.295
27 H GLY 7 H GLY 7 -8.097 -12.018 -6.909
28 HA2 GLY 7 1HA GLY 7 -9.861 -10.538 -8.431
29 HA3 GLY 7 2HA GLY 7 -9.256 -9.429 -7.210
30 H THR 8 H THR 8 -8.021 -8.108 -8.445
31 HA THR 8 HA THR 8 -6.126 -9.234 -10.341
32 HB THR 8 HB THR 8 -7.413 -7.191 -10.925
33 HG1 THR 8 HG1 THR 8 -5.721 -6.411 -12.018
34 HG21 THR 8 3HG2 THR 8 -7.267 -6.259 -8.554
35 HG22 THR 8 1HG2 THR 8 -7.042 -5.112 -9.874
36 HG23 THR 8 2HG2 THR 8 -5.645 -5.719 -8.985
37 H GLY 9 H GLY 9 -5.570 -9.994 -7.721
38 HA2 GLY 9 1HA GLY 9 -2.858 -9.447 -7.486
39 HA3 GLY 9 2HA GLY 9 -3.685 -8.299 -6.443
40 H MET 10 H MET 10 -2.059 -9.807 -5.105
41 HA MET 10 HA MET 10 -3.247 -12.298 -4.267
42 HB2 MET 10 1HB MET 10 -0.938 -10.797 -3.024
43 HB3 MET 10 2HB MET 10 -1.354 -12.487 -2.770
44 HG2 MET 10 1HG MET 10 -0.626 -11.397 -5.469
45 HG3 MET 10 2HG MET 10 0.576 -11.998 -4.329
46 HE1 MET 10 3HE MET 10 -0.551 -15.638 -3.770
47 HE2 MET 10 1HE MET 10 1.017 -14.910 -4.123
48 HE3 MET 10 2HE MET 10 -0.073 -14.140 -2.970
49 H LYS 11 H LYS 11 -2.434 -9.261 -2.577
50 HA LYS 11 HA LYS 11 -4.485 -9.906 -0.577
51 HB2 LYS 11 1HB LYS 11 -1.955 -8.344 -0.531
52 HB3 LYS 11 2HB LYS 11 -3.261 -7.788 0.507
53 HG2 LYS 11 1HG LYS 11 -3.143 -9.606 1.871
54 HG3 LYS 11 2HG LYS 11 -2.566 -10.671 0.587
55 HD2 LYS 11 1HD LYS 11 -0.462 -9.050 0.725
56 HD3 LYS 11 2HD LYS 11 -1.052 -8.847 2.376
57 HE2 LYS 11 1HE LYS 11 -0.767 -11.591 1.232
58 HE3 LYS 11 2HE LYS 11 0.663 -10.736 1.806
59 HZ1 LYS 11 3HZ LYS 11 -0.279 -10.562 3.970
60 HZ2 LYS 11 1HZ LYS 11 -0.411 -12.180 3.492
61 HZ3 LYS 11 2HZ LYS 11 -1.769 -11.172 3.449
62 HA PRO 12 HA PRO 12 -7.178 -6.664 -1.793
63 HB2 PRO 12 1HB PRO 12 -7.984 -5.626 0.583
64 HB3 PRO 12 2HB PRO 12 -8.507 -7.210 -0.000
65 HG2 PRO 12 1HG PRO 12 -6.357 -6.533 1.969
66 HG3 PRO 12 2HG PRO 12 -7.576 -7.818 2.042
67 HD2 PRO 12 1HD PRO 12 -5.016 -8.280 1.291
68 HD3 PRO 12 2HD PRO 12 -6.385 -9.202 0.636
69 H TYR 13 H TYR 13 -6.340 -4.937 1.096
70 HA TYR 13 HA TYR 13 -5.151 -2.816 -0.557
71 HB2 TYR 13 1HB TYR 13 -6.007 -2.283 2.244
72 HB3 TYR 13 2HB TYR 13 -6.097 -1.247 0.824
73 HD1 TYR 13 HD2 TYR 13 -7.660 -4.220 2.415
74 HD2 TYR 13 HD1 TYR 13 -8.105 -1.031 -0.366
75 HE1 TYR 13 HE2 TYR 13 -10.044 -4.772 2.173
76 HE2 TYR 13 HE1 TYR 13 -10.491 -1.573 -0.616
77 HH TYR 13 HH TYR 13 -12.029 -3.314 -0.269
78 H VAL 14 H VAL 14 -3.881 -5.262 0.761
79 HA VAL 14 HA VAL 14 -2.141 -4.204 2.783
80 HB VAL 14 HB VAL 14 -1.732 -6.751 1.221
81 HG11 VAL 14 1HG1 VAL 14 -0.045 -7.140 2.615
82 HG12 VAL 14 2HG1 VAL 14 -0.226 -5.487 3.208
83 HG13 VAL 14 3HG1 VAL 14 -1.059 -6.813 4.020
84 HG21 VAL 14 3HG2 VAL 14 -3.046 -7.901 2.902
85 HG22 VAL 14 1HG2 VAL 14 -3.364 -6.377 3.730
86 HG23 VAL 14 2HG2 VAL 14 -4.026 -6.661 2.120
87 H CYS 15 H CYS 15 0.034 -3.704 2.624
88 HA CYS 15 HA CYS 15 0.879 -2.629 0.108
89 HB2 CYS 15 1HB CYS 15 1.399 -1.871 2.596
90 HB3 CYS 15 2HB CYS 15 2.779 -2.945 2.390
91 H ASN 16 H ASN 16 1.491 -3.981 -1.460
92 HA ASN 16 HA ASN 16 2.615 -6.543 -1.019
93 HB2 ASN 16 1HB ASN 16 2.942 -5.025 -3.593
94 HB3 ASN 16 2HB ASN 16 2.701 -6.753 -3.352
95 HD21 ASN 16 1HD2 ASN 16 1.145 -3.612 -3.212
96 HD22 ASN 16 2HD2 ASN 16 -0.467 -4.193 -3.428
97 H GLU 17 H GLU 17 3.958 -3.579 -0.549
98 HA GLU 17 HA GLU 17 6.627 -4.269 -1.494
99 HB2 GLU 17 1HB GLU 17 5.655 -1.792 -0.059
100 HB3 GLU 17 2HB GLU 17 7.248 -2.012 -0.770
101 HG2 GLU 17 1HG GLU 17 4.776 -2.251 -2.436
102 HG3 GLU 17 2HG GLU 17 5.482 -0.678 -2.070
103 H CYS 18 H CYS 18 4.987 -3.502 1.563
104 HA CYS 18 HA CYS 18 7.231 -4.774 2.988
105 HB2 CYS 18 1HB CYS 18 6.512 -3.413 4.957
106 HB3 CYS 18 2HB CYS 18 7.085 -2.449 3.600
107 H GLY 19 H GLY 19 3.747 -4.547 2.652
108 HA2 GLY 19 1HA GLY 19 2.474 -6.606 2.932
109 HA3 GLY 19 2HA GLY 19 3.517 -6.991 4.293
110 H LYS 20 H LYS 20 2.790 -3.727 4.299
111 HA LYS 20 HA LYS 20 1.326 -3.850 6.694
112 HB2 LYS 20 1HB LYS 20 2.671 -1.893 5.512
113 HB3 LYS 20 2HB LYS 20 1.073 -1.471 4.911
114 HG2 LYS 20 1HG LYS 20 1.914 -1.699 7.792
115 HG3 LYS 20 2HG LYS 20 1.535 -0.220 6.907
116 HD2 LYS 20 1HD LYS 20 -0.766 -1.333 6.504
117 HD3 LYS 20 2HD LYS 20 -0.309 -2.390 7.842
118 HE2 LYS 20 1HE LYS 20 -0.059 0.568 8.155
119 HE3 LYS 20 2HE LYS 20 -1.650 -0.182 8.280
120 HZ1 LYS 20 3HZ LYS 20 -0.742 -0.072 10.449
121 HZ2 LYS 20 1HZ LYS 20 0.735 -0.731 9.953
122 HZ3 LYS 20 2HZ LYS 20 -0.656 -1.694 9.977
123 H ALA 21 H ALA 21 -0.661 -4.627 6.920
124 HA ALA 21 HA ALA 21 -2.547 -4.527 4.707
125 HB1 ALA 21 3HB ALA 21 -3.229 -5.670 7.377
126 HB2 ALA 21 1HB ALA 21 -3.733 -6.187 5.767
127 HB3 ALA 21 2HB ALA 21 -2.095 -6.523 6.330
128 H PHE 22 H PHE 22 -4.359 -3.303 4.628
129 HA PHE 22 HA PHE 22 -4.952 -1.590 6.948
130 HB2 PHE 22 1HB PHE 22 -5.119 -0.721 4.057
131 HB3 PHE 22 2HB PHE 22 -5.400 0.279 5.479
132 HD1 PHE 22 HD1 PHE 22 -2.803 -1.632 3.660
133 HD2 PHE 22 HD2 PHE 22 -3.636 1.399 6.530
134 HE1 PHE 22 HE1 PHE 22 -0.425 -0.999 3.676
135 HE2 PHE 22 HE2 PHE 22 -1.260 2.038 6.549
136 HZ PHE 22 HZ PHE 22 0.348 0.840 5.121
137 H ARG 23 H ARG 23 -7.185 -0.353 6.224
138 HA ARG 23 HA ARG 23 -9.082 -2.560 5.903
139 HB2 ARG 23 1HB ARG 23 -9.550 0.269 6.865
140 HB3 ARG 23 2HB ARG 23 -10.739 -1.027 6.856
141 HG2 ARG 23 1HG ARG 23 -9.618 -2.209 8.553
142 HG3 ARG 23 2HG ARG 23 -8.161 -1.229 8.379
143 HD2 ARG 23 1HD ARG 23 -9.500 0.746 9.127
144 HD3 ARG 23 2HD ARG 23 -10.832 -0.357 9.468
145 HE ARG 23 HE ARG 23 -8.378 -1.099 10.759
146 HH11 ARG 23 1HH1 ARG 23 -11.235 0.879 10.979
147 HH12 ARG 23 2HH1 ARG 23 -11.185 0.988 12.707
148 HH21 ARG 23 1HH2 ARG 23 -8.302 -0.963 13.035
149 HH22 ARG 23 2HH2 ARG 23 -9.516 -0.059 13.876
150 H SER 24 H SER 24 -8.213 0.567 4.541
151 HA SER 24 HA SER 24 -9.925 -0.047 2.227
152 HB2 SER 24 1HB SER 24 -9.577 2.618 3.611
153 HB3 SER 24 2HB SER 24 -10.285 2.446 2.005
154 HG SER 24 HG SER 24 -11.282 1.610 4.494
155 H LYS 25 H LYS 25 -9.220 0.902 0.212
156 HA LYS 25 HA LYS 25 -6.464 0.596 -0.246
157 HB2 LYS 25 1HB LYS 25 -6.945 1.466 -2.507
158 HB3 LYS 25 2HB LYS 25 -8.087 0.224 -2.011
159 HG2 LYS 25 1HG LYS 25 -9.837 1.681 -1.886
160 HG3 LYS 25 2HG LYS 25 -8.804 3.064 -1.517
161 HD2 LYS 25 1HD LYS 25 -9.487 3.506 -3.689
162 HD3 LYS 25 2HD LYS 25 -7.918 2.733 -3.931
163 HE2 LYS 25 1HE LYS 25 -9.391 1.740 -5.491
164 HE3 LYS 25 2HE LYS 25 -9.173 0.558 -4.200
165 HZ1 LYS 25 3HZ LYS 25 -11.544 2.096 -4.931
166 HZ2 LYS 25 1HZ LYS 25 -11.303 1.791 -3.284
167 HZ3 LYS 25 2HZ LYS 25 -11.417 0.503 -4.375
168 H SER 26 H SER 26 -8.423 3.393 0.487
169 HA SER 26 HA SER 26 -6.631 5.405 -0.309
170 HB2 SER 26 1HB SER 26 -7.895 6.862 1.251
171 HB3 SER 26 2HB SER 26 -8.958 5.905 0.219
172 HG SER 26 HG SER 26 -8.453 5.680 2.964
173 H TYR 27 H TYR 27 -6.810 3.430 2.571
174 HA TYR 27 HA TYR 27 -4.958 4.983 4.099
175 HB2 TYR 27 1HB TYR 27 -6.332 2.364 4.408
176 HB3 TYR 27 2HB TYR 27 -4.858 2.613 5.337
177 HD1 TYR 27 HD1 TYR 27 -5.033 5.452 6.041
178 HD2 TYR 27 HD2 TYR 27 -8.071 2.476 5.947
179 HE1 TYR 27 HE1 TYR 27 -6.305 6.707 7.731
180 HE2 TYR 27 HE2 TYR 27 -9.353 3.722 7.635
181 HH TYR 27 HH TYR 27 -8.924 6.818 8.354
182 H LEU 28 H LEU 28 -4.727 2.284 1.882
183 HA LEU 28 HA LEU 28 -1.980 1.706 2.503
184 HB2 LEU 28 1HB LEU 28 -3.178 -0.136 1.726
185 HB3 LEU 28 2HB LEU 28 -3.918 0.781 0.416
186 HG LEU 28 HG LEU 28 -1.659 0.864 -0.676
187 HD11 LEU 28 1HD1 LEU 28 -0.736 -1.457 0.861
188 HD12 LEU 28 2HD1 LEU 28 -0.703 0.073 1.735
189 HD13 LEU 28 3HD1 LEU 28 0.167 -0.089 0.210
190 HD21 LEU 28 3HD2 LEU 28 -1.971 -1.969 -0.631
191 HD22 LEU 28 1HD2 LEU 28 -2.464 -0.818 -1.874
192 HD23 LEU 28 2HD2 LEU 28 -3.566 -1.218 -0.556
193 H ILE 29 H ILE 29 -3.714 3.640 0.158
194 HA ILE 29 HA ILE 29 -1.543 4.108 -1.603
195 HB ILE 29 HB ILE 29 -4.036 5.733 -1.097
196 HG12 ILE 29 1HG1 ILE 29 -3.506 4.146 -3.572
197 HG13 ILE 29 2HG1 ILE 29 -3.996 3.289 -2.115
198 HG21 ILE 29 1HG2 ILE 29 -1.670 6.374 -2.601
199 HG22 ILE 29 2HG2 ILE 29 -3.068 6.253 -3.667
200 HG23 ILE 29 3HG2 ILE 29 -3.102 7.356 -2.292
201 HD11 ILE 29 3HD1 ILE 29 -6.041 4.531 -2.009
202 HD12 ILE 29 1HD1 ILE 29 -5.535 5.558 -3.350
203 HD13 ILE 29 2HD1 ILE 29 -5.867 3.847 -3.625
204 H ILE 30 H ILE 30 -2.864 5.958 1.126
205 HA ILE 30 HA ILE 30 -0.992 8.087 0.915
206 HB ILE 30 HB ILE 30 -1.795 8.824 3.065
207 HG12 ILE 30 1HG1 ILE 30 -3.565 6.444 3.391
208 HG13 ILE 30 2HG1 ILE 30 -1.873 6.287 3.849
209 HG21 ILE 30 1HG2 ILE 30 -4.350 8.579 2.593
210 HG22 ILE 30 2HG2 ILE 30 -3.325 9.470 1.470
211 HG23 ILE 30 3HG2 ILE 30 -3.802 7.813 1.102
212 HD11 ILE 30 3HD1 ILE 30 -3.226 8.676 4.882
213 HD12 ILE 30 1HD1 ILE 30 -3.828 7.136 5.496
214 HD13 ILE 30 2HD1 ILE 30 -2.123 7.553 5.679
215 H HIS 31 H HIS 31 -0.714 4.908 2.032
216 HA HIS 31 HA HIS 31 1.467 5.514 3.877
217 HB2 HIS 31 1HB HIS 31 0.248 3.823 4.844
218 HB3 HIS 31 2HB HIS 31 -0.210 3.121 3.296
219 HD1 HIS 31 HD1 HIS 31 1.975 2.577 6.102
220 HD2 HIS 31 HD2 HIS 31 2.098 1.723 2.038
221 HE1 HIS 31 HE1 HIS 31 3.713 0.778 5.845
222 H THR 32 H THR 32 0.906 3.564 0.951
223 HA THR 32 HA THR 32 3.404 2.582 0.473
224 HB THR 32 HB THR 32 1.571 3.740 -1.635
225 HG1 THR 32 HG1 THR 32 1.597 1.318 -0.199
226 HG21 THR 32 3HG2 THR 32 2.925 1.463 -2.571
227 HG22 THR 32 1HG2 THR 32 4.146 2.472 -1.796
228 HG23 THR 32 2HG2 THR 32 3.146 3.134 -3.090
229 H ARG 33 H ARG 33 2.437 5.879 0.422
230 HA ARG 33 HA ARG 33 4.604 6.820 -1.217
231 HB2 ARG 33 1HB ARG 33 3.860 9.080 -0.284
232 HB3 ARG 33 2HB ARG 33 2.693 8.193 -1.255
233 HG2 ARG 33 1HG ARG 33 1.487 7.510 0.684
234 HG3 ARG 33 2HG ARG 33 2.743 8.139 1.751
235 HD2 ARG 33 1HD ARG 33 0.965 9.750 -0.076
236 HD3 ARG 33 2HD ARG 33 0.854 9.660 1.681
237 HE ARG 33 HE ARG 33 3.412 10.518 1.134
238 HH11 ARG 33 1HH1 ARG 33 0.177 11.636 0.496
239 HH12 ARG 33 2HH1 ARG 33 0.617 13.311 0.492
240 HH21 ARG 33 1HH2 ARG 33 4.003 12.721 1.132
241 HH22 ARG 33 2HH2 ARG 33 2.794 13.928 0.853
242 H THR 34 H THR 34 3.942 6.535 2.231
243 HA THR 34 HA THR 34 5.974 8.041 3.314
244 HB THR 34 HB THR 34 4.154 6.659 4.513
245 HG1 THR 34 HG1 THR 34 6.728 6.557 5.708
246 HG21 THR 34 3HG2 THR 34 5.296 4.509 3.488
247 HG22 THR 34 1HG2 THR 34 4.543 4.470 5.081
248 HG23 THR 34 2HG2 THR 34 6.293 4.630 4.937
249 H HIS 35 H HIS 35 6.156 4.872 1.820
250 HA HIS 35 HA HIS 35 8.587 3.932 2.651
251 HB2 HIS 35 1HB HIS 35 7.146 3.771 0.032
252 HB3 HIS 35 2HB HIS 35 8.774 3.113 0.161
253 HD1 HIS 35 HD1 HIS 35 9.037 0.879 1.304
254 HD2 HIS 35 HD2 HIS 35 5.212 2.454 1.694
255 HE1 HIS 35 HE1 HIS 35 7.648 -0.967 2.297
256 H THR 36 H THR 36 7.967 6.769 0.840
257 HA THR 36 HA THR 36 10.614 6.979 -0.295
258 HB THR 36 HB THR 36 9.924 9.132 -1.142
259 HG1 THR 36 HG1 THR 36 7.845 8.825 0.748
260 HG21 THR 36 3HG2 THR 36 8.027 8.492 -2.488
261 HG22 THR 36 1HG2 THR 36 7.584 7.234 -1.335
262 HG23 THR 36 2HG2 THR 36 9.070 7.087 -2.272
263 H GLY 37 H GLY 37 10.675 6.630 2.502
264 HA2 GLY 37 1HA GLY 37 11.487 9.298 3.465
265 HA3 GLY 37 2HA GLY 37 11.005 7.962 4.501
266 H GLU 38 H GLU 38 13.244 7.924 1.757
267 HA GLU 38 HA GLU 38 15.317 6.928 3.588
268 HB2 GLU 38 1HB GLU 38 14.862 6.540 0.636
269 HB3 GLU 38 2HB GLU 38 16.402 6.162 1.394
270 HG2 GLU 38 1HG GLU 38 15.270 4.582 2.886
271 HG3 GLU 38 2HG GLU 38 13.739 4.944 2.091
272 H SER 39 H SER 39 14.829 9.099 0.821
273 HA SER 39 HA SER 39 17.351 10.159 0.561
274 HB2 SER 39 1HB SER 39 14.613 11.312 0.143
275 HB3 SER 39 2HB SER 39 16.033 12.339 -0.052
276 HG SER 39 HG SER 39 15.101 10.288 -1.639
277 H GLY 40 H GLY 40 14.738 11.572 2.548
278 HA2 GLY 40 1HA GLY 40 15.998 13.644 3.742
279 HA3 GLY 40 2HA GLY 40 14.870 12.614 4.610
280 HA PRO 41 HA PRO 41 18.096 11.460 7.345
281 HB2 PRO 41 1HB PRO 41 17.242 8.998 8.109
282 HB3 PRO 41 2HB PRO 41 16.469 10.494 8.649
283 HG2 PRO 41 1HG PRO 41 15.649 8.618 6.464
284 HG3 PRO 41 2HG PRO 41 14.645 9.418 7.688
285 HD2 PRO 41 1HD PRO 41 14.833 10.321 5.142
286 HD3 PRO 41 2HD PRO 41 14.590 11.407 6.525
287 H SER 42 H SER 42 20.050 10.469 7.286
288 HA SER 42 HA SER 42 20.510 8.027 5.856
289 HB2 SER 42 1HB SER 42 20.443 9.980 4.117
290 HB3 SER 42 2HB SER 42 22.039 10.366 4.760
291 HG SER 42 HG SER 42 21.466 7.725 4.013
292 H SER 43 H SER 43 23.027 7.697 5.683
293 HA SER 43 HA SER 43 24.287 8.789 8.109
294 HB2 SER 43 1HB SER 43 23.418 6.425 8.399
295 HB3 SER 43 2HB SER 43 24.605 5.926 7.195
296 HG SER 43 HG SER 43 25.495 5.682 9.236
297 H GLY 44 H GLY 44 26.594 8.864 8.086
298 HA2 GLY 44 1HA GLY 44 27.672 9.636 5.577
299 HA3 GLY 44 2HA GLY 44 28.572 9.458 7.076
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.472 -7.362 -15.767
2 HA2 GLY 1 1HA GLY 1 -7.510 -7.799 -13.171
3 HA3 GLY 1 2HA GLY 1 -8.835 -8.919 -13.450
4 H SER 2 H SER 2 -6.310 -9.861 -12.938
5 HA SER 2 HA SER 2 -5.694 -11.179 -15.476
6 HB2 SER 2 1HB SER 2 -3.560 -9.997 -13.683
7 HB3 SER 2 2HB SER 2 -3.292 -10.890 -15.180
8 HG SER 2 HG SER 2 -4.780 -9.098 -16.040
9 H SER 3 H SER 3 -4.437 -13.162 -15.198
10 HA SER 3 HA SER 3 -4.664 -14.305 -12.495
11 HB2 SER 3 1HB SER 3 -6.479 -15.019 -14.213
12 HB3 SER 3 2HB SER 3 -5.185 -15.968 -14.946
13 HG SER 3 HG SER 3 -5.800 -17.382 -13.502
14 H GLY 4 H GLY 4 -3.198 -16.031 -12.023
15 HA2 GLY 4 1HA GLY 4 -0.711 -15.796 -13.565
16 HA3 GLY 4 2HA GLY 4 -0.845 -16.378 -11.912
17 H SER 5 H SER 5 0.677 -17.841 -13.525
18 HA SER 5 HA SER 5 -1.005 -20.079 -14.430
19 HB2 SER 5 1HB SER 5 1.634 -19.009 -15.316
20 HB3 SER 5 2HB SER 5 1.361 -20.746 -15.456
21 HG SER 5 HG SER 5 0.666 -19.792 -17.342
22 H SER 6 H SER 6 2.023 -19.372 -12.704
23 HA SER 6 HA SER 6 1.622 -21.859 -11.177
24 HB2 SER 6 1HB SER 6 4.027 -22.226 -11.141
25 HB3 SER 6 2HB SER 6 3.480 -22.098 -12.813
26 HG SER 6 HG SER 6 4.341 -19.779 -11.507
27 H GLY 7 H GLY 7 0.621 -19.429 -10.325
28 HA2 GLY 7 1HA GLY 7 1.160 -19.165 -7.745
29 HA3 GLY 7 2HA GLY 7 2.541 -18.318 -8.427
30 H THR 8 H THR 8 -0.776 -18.146 -7.610
31 HA THR 8 HA THR 8 -0.962 -15.461 -8.812
32 HB THR 8 HB THR 8 -3.255 -17.256 -7.998
33 HG1 THR 8 HG1 THR 8 -2.693 -18.196 -9.830
34 HG21 THR 8 3HG2 THR 8 -3.265 -14.545 -8.267
35 HG22 THR 8 1HG2 THR 8 -4.666 -15.582 -8.532
36 HG23 THR 8 2HG2 THR 8 -3.683 -15.060 -9.901
37 H GLY 9 H GLY 9 0.166 -14.588 -6.960
38 HA2 GLY 9 1HA GLY 9 -1.386 -14.625 -4.459
39 HA3 GLY 9 2HA GLY 9 0.310 -14.185 -4.597
40 H MET 10 H MET 10 -2.784 -13.008 -4.246
41 HA MET 10 HA MET 10 -1.874 -10.299 -4.928
42 HB2 MET 10 1HB MET 10 -4.459 -11.620 -5.710
43 HB3 MET 10 2HB MET 10 -4.336 -9.871 -5.574
44 HG2 MET 10 1HG MET 10 -2.312 -10.130 -7.159
45 HG3 MET 10 2HG MET 10 -3.005 -11.711 -7.512
46 HE1 MET 10 3HE MET 10 -5.658 -11.715 -7.405
47 HE2 MET 10 1HE MET 10 -6.661 -10.591 -8.323
48 HE3 MET 10 2HE MET 10 -5.656 -11.768 -9.168
49 H LYS 11 H LYS 11 -2.783 -8.620 -3.672
50 HA LYS 11 HA LYS 11 -4.232 -9.505 -1.267
51 HB2 LYS 11 1HB LYS 11 -2.033 -7.431 -1.325
52 HB3 LYS 11 2HB LYS 11 -2.911 -7.986 0.095
53 HG2 LYS 11 1HG LYS 11 -1.191 -9.770 -1.611
54 HG3 LYS 11 2HG LYS 11 -0.622 -8.937 -0.162
55 HD2 LYS 11 1HD LYS 11 -3.065 -10.663 -0.047
56 HD3 LYS 11 2HD LYS 11 -1.459 -11.392 0.015
57 HE2 LYS 11 1HE LYS 11 -0.971 -9.723 1.887
58 HE3 LYS 11 2HE LYS 11 -2.711 -9.447 1.932
59 HZ1 LYS 11 3HZ LYS 11 -2.215 -12.214 1.948
60 HZ2 LYS 11 1HZ LYS 11 -2.951 -11.268 3.141
61 HZ3 LYS 11 2HZ LYS 11 -1.275 -11.493 3.155
62 HA PRO 12 HA PRO 12 -7.075 -6.255 -2.064
63 HB2 PRO 12 1HB PRO 12 -7.852 -5.622 0.459
64 HB3 PRO 12 2HB PRO 12 -8.345 -7.113 -0.353
65 HG2 PRO 12 1HG PRO 12 -6.167 -6.680 1.655
66 HG3 PRO 12 2HG PRO 12 -7.349 -7.999 1.552
67 HD2 PRO 12 1HD PRO 12 -4.795 -8.260 0.689
68 HD3 PRO 12 2HD PRO 12 -6.153 -9.111 -0.074
69 H TYR 13 H TYR 13 -6.214 -4.971 1.040
70 HA TYR 13 HA TYR 13 -5.120 -2.585 -0.286
71 HB2 TYR 13 1HB TYR 13 -5.936 -2.509 2.575
72 HB3 TYR 13 2HB TYR 13 -6.084 -1.274 1.330
73 HD1 TYR 13 HD2 TYR 13 -7.530 -4.500 2.477
74 HD2 TYR 13 HD1 TYR 13 -8.119 -0.943 0.216
75 HE1 TYR 13 HE2 TYR 13 -9.902 -5.082 2.190
76 HE2 TYR 13 HE1 TYR 13 -10.494 -1.515 -0.076
77 HH TYR 13 HH TYR 13 -11.808 -4.573 1.128
78 H VAL 14 H VAL 14 -3.978 -5.273 1.036
79 HA VAL 14 HA VAL 14 -2.087 -4.261 2.936
80 HB VAL 14 HB VAL 14 -1.984 -6.901 1.475
81 HG11 VAL 14 1HG1 VAL 14 0.054 -6.101 2.723
82 HG12 VAL 14 2HG1 VAL 14 -0.910 -6.201 4.198
83 HG13 VAL 14 3HG1 VAL 14 -0.599 -7.653 3.246
84 HG21 VAL 14 3HG2 VAL 14 -3.138 -7.800 3.497
85 HG22 VAL 14 1HG2 VAL 14 -3.439 -6.137 4.002
86 HG23 VAL 14 2HG2 VAL 14 -4.143 -6.745 2.503
87 H CYS 15 H CYS 15 0.023 -3.719 2.657
88 HA CYS 15 HA CYS 15 0.874 -2.884 0.084
89 HB2 CYS 15 1HB CYS 15 1.545 -2.081 2.521
90 HB3 CYS 15 2HB CYS 15 2.841 -3.252 2.299
91 H ASN 16 H ASN 16 1.703 -4.080 -1.485
92 HA ASN 16 HA ASN 16 2.601 -6.777 -0.964
93 HB2 ASN 16 1HB ASN 16 1.249 -5.800 -3.025
94 HB3 ASN 16 2HB ASN 16 2.868 -5.508 -3.654
95 HD21 ASN 16 1HD2 ASN 16 3.917 -7.132 -4.587
96 HD22 ASN 16 2HD2 ASN 16 3.414 -8.785 -4.574
97 H GLU 17 H GLU 17 4.132 -4.298 -0.096
98 HA GLU 17 HA GLU 17 6.708 -5.054 -1.312
99 HB2 GLU 17 1HB GLU 17 5.993 -2.318 -0.252
100 HB3 GLU 17 2HB GLU 17 7.473 -2.777 -1.083
101 HG2 GLU 17 1HG GLU 17 4.882 -3.165 -2.484
102 HG3 GLU 17 2HG GLU 17 5.525 -1.531 -2.328
103 H CYS 18 H CYS 18 5.021 -3.974 1.588
104 HA CYS 18 HA CYS 18 7.289 -4.962 3.191
105 HB2 CYS 18 1HB CYS 18 6.598 -3.347 4.941
106 HB3 CYS 18 2HB CYS 18 7.089 -2.556 3.446
107 H GLY 19 H GLY 19 3.808 -4.803 2.799
108 HA2 GLY 19 1HA GLY 19 2.501 -6.767 3.342
109 HA3 GLY 19 2HA GLY 19 3.577 -7.043 4.703
110 H LYS 20 H LYS 20 2.749 -3.781 4.263
111 HA LYS 20 HA LYS 20 1.391 -3.656 6.755
112 HB2 LYS 20 1HB LYS 20 2.777 -1.839 5.492
113 HB3 LYS 20 2HB LYS 20 1.247 -1.469 4.708
114 HG2 LYS 20 1HG LYS 20 1.348 0.013 6.498
115 HG3 LYS 20 2HG LYS 20 0.289 -1.277 7.069
116 HD2 LYS 20 1HD LYS 20 2.051 -2.246 8.362
117 HD3 LYS 20 2HD LYS 20 3.246 -1.165 7.643
118 HE2 LYS 20 1HE LYS 20 1.970 0.750 8.646
119 HE3 LYS 20 2HE LYS 20 0.995 -0.437 9.510
120 HZ1 LYS 20 3HZ LYS 20 3.886 0.117 9.812
121 HZ2 LYS 20 1HZ LYS 20 3.179 -1.303 10.401
122 HZ3 LYS 20 2HZ LYS 20 2.674 0.200 10.990
123 H ALA 21 H ALA 21 -0.600 -4.403 7.056
124 HA ALA 21 HA ALA 21 -2.519 -4.419 4.869
125 HB1 ALA 21 3HB ALA 21 -2.417 -6.439 6.120
126 HB2 ALA 21 1HB ALA 21 -2.595 -5.575 7.648
127 HB3 ALA 21 2HB ALA 21 -3.947 -5.658 6.518
128 H PHE 22 H PHE 22 -4.460 -3.323 4.854
129 HA PHE 22 HA PHE 22 -4.938 -1.403 7.025
130 HB2 PHE 22 1HB PHE 22 -5.105 -0.737 4.079
131 HB3 PHE 22 2HB PHE 22 -5.452 0.356 5.414
132 HD1 PHE 22 HD1 PHE 22 -2.769 -1.558 3.747
133 HD2 PHE 22 HD2 PHE 22 -3.735 1.552 6.488
134 HE1 PHE 22 HE1 PHE 22 -0.411 -0.856 3.777
135 HE2 PHE 22 HE2 PHE 22 -1.379 2.259 6.521
136 HZ PHE 22 HZ PHE 22 0.287 1.056 5.164
137 H ARG 23 H ARG 23 -7.181 -0.267 6.509
138 HA ARG 23 HA ARG 23 -9.085 -2.464 6.232
139 HB2 ARG 23 1HB ARG 23 -9.064 -0.802 8.191
140 HB3 ARG 23 2HB ARG 23 -9.740 0.357 7.055
141 HG2 ARG 23 1HG ARG 23 -11.628 -1.180 6.658
142 HG3 ARG 23 2HG ARG 23 -10.962 -2.269 7.877
143 HD2 ARG 23 1HD ARG 23 -12.598 -1.016 9.004
144 HD3 ARG 23 2HD ARG 23 -11.059 -0.292 9.472
145 HE ARG 23 HE ARG 23 -11.671 1.637 8.391
146 HH11 ARG 23 1HH1 ARG 23 -13.816 -0.942 7.461
147 HH12 ARG 23 2HH1 ARG 23 -14.920 0.101 6.627
148 HH21 ARG 23 1HH2 ARG 23 -13.116 3.021 7.296
149 HH22 ARG 23 2HH2 ARG 23 -14.520 2.355 6.533
150 H SER 24 H SER 24 -8.218 0.601 4.761
151 HA SER 24 HA SER 24 -10.095 0.005 2.571
152 HB2 SER 24 1HB SER 24 -9.533 2.667 3.881
153 HB3 SER 24 2HB SER 24 -10.282 2.531 2.291
154 HG SER 24 HG SER 24 -12.085 1.896 3.190
155 H LYS 25 H LYS 25 -9.495 1.247 0.539
156 HA LYS 25 HA LYS 25 -6.801 0.615 -0.138
157 HB2 LYS 25 1HB LYS 25 -8.672 0.440 -1.743
158 HB3 LYS 25 2HB LYS 25 -8.855 2.189 -1.704
159 HG2 LYS 25 1HG LYS 25 -6.735 2.512 -2.737
160 HG3 LYS 25 2HG LYS 25 -6.331 0.802 -2.571
161 HD2 LYS 25 1HD LYS 25 -6.993 0.879 -4.771
162 HD3 LYS 25 2HD LYS 25 -8.518 0.469 -3.982
163 HE2 LYS 25 1HE LYS 25 -7.848 3.344 -4.335
164 HE3 LYS 25 2HE LYS 25 -8.338 2.427 -5.759
165 HZ1 LYS 25 3HZ LYS 25 -10.177 3.562 -4.533
166 HZ2 LYS 25 1HZ LYS 25 -9.917 2.489 -3.251
167 HZ3 LYS 25 2HZ LYS 25 -10.400 1.900 -4.761
168 H SER 26 H SER 26 -8.573 3.661 0.288
169 HA SER 26 HA SER 26 -6.581 5.444 -0.434
170 HB2 SER 26 1HB SER 26 -7.773 7.106 0.836
171 HB3 SER 26 2HB SER 26 -8.964 6.018 0.125
172 HG SER 26 HG SER 26 -9.625 6.015 2.150
173 H TYR 27 H TYR 27 -6.889 3.509 2.430
174 HA TYR 27 HA TYR 27 -5.057 4.980 4.045
175 HB2 TYR 27 1HB TYR 27 -6.425 2.344 4.210
176 HB3 TYR 27 2HB TYR 27 -4.974 2.559 5.182
177 HD1 TYR 27 HD1 TYR 27 -5.180 5.365 6.004
178 HD2 TYR 27 HD2 TYR 27 -8.200 2.382 5.710
179 HE1 TYR 27 HE1 TYR 27 -6.498 6.539 7.716
180 HE2 TYR 27 HE2 TYR 27 -9.527 3.549 7.420
181 HH TYR 27 HH TYR 27 -9.267 5.125 9.194
182 H LEU 28 H LEU 28 -4.777 2.219 1.867
183 HA LEU 28 HA LEU 28 -2.031 1.707 2.476
184 HB2 LEU 28 1HB LEU 28 -3.237 -0.127 1.659
185 HB3 LEU 28 2HB LEU 28 -3.908 0.802 0.320
186 HG LEU 28 HG LEU 28 -1.542 0.889 -0.607
187 HD11 LEU 28 1HD1 LEU 28 -0.835 -1.576 0.782
188 HD12 LEU 28 2HD1 LEU 28 -0.863 -0.159 1.830
189 HD13 LEU 28 3HD1 LEU 28 0.153 -0.169 0.389
190 HD21 LEU 28 3HD2 LEU 28 -2.470 -0.605 -1.960
191 HD22 LEU 28 1HD2 LEU 28 -3.533 -1.174 -0.673
192 HD23 LEU 28 2HD2 LEU 28 -1.928 -1.879 -0.866
193 H ILE 29 H ILE 29 -3.735 3.752 0.239
194 HA ILE 29 HA ILE 29 -1.564 4.229 -1.538
195 HB ILE 29 HB ILE 29 -4.061 5.831 -0.989
196 HG12 ILE 29 1HG1 ILE 29 -3.450 4.316 -3.503
197 HG13 ILE 29 2HG1 ILE 29 -4.048 3.453 -2.091
198 HG21 ILE 29 1HG2 ILE 29 -1.683 6.557 -2.436
199 HG22 ILE 29 2HG2 ILE 29 -3.071 6.480 -3.519
200 HG23 ILE 29 3HG2 ILE 29 -3.123 7.516 -2.093
201 HD11 ILE 29 3HD1 ILE 29 -5.485 5.851 -3.150
202 HD12 ILE 29 1HD1 ILE 29 -5.729 4.252 -3.851
203 HD13 ILE 29 2HD1 ILE 29 -6.099 4.535 -2.150
204 H ILE 30 H ILE 30 -2.853 5.973 1.269
205 HA ILE 30 HA ILE 30 -1.039 8.142 1.121
206 HB ILE 30 HB ILE 30 -1.748 8.712 3.359
207 HG12 ILE 30 1HG1 ILE 30 -3.450 6.272 3.592
208 HG13 ILE 30 2HG1 ILE 30 -1.737 6.127 3.967
209 HG21 ILE 30 1HG2 ILE 30 -3.557 9.503 2.344
210 HG22 ILE 30 2HG2 ILE 30 -3.555 8.165 1.196
211 HG23 ILE 30 3HG2 ILE 30 -4.384 7.998 2.744
212 HD11 ILE 30 3HD1 ILE 30 -1.984 7.139 5.928
213 HD12 ILE 30 1HD1 ILE 30 -2.967 8.429 5.235
214 HD13 ILE 30 2HD1 ILE 30 -3.717 6.901 5.699
215 H HIS 31 H HIS 31 -0.668 4.909 2.125
216 HA HIS 31 HA HIS 31 1.638 5.497 3.818
217 HB2 HIS 31 1HB HIS 31 0.478 3.792 4.842
218 HB3 HIS 31 2HB HIS 31 -0.060 3.096 3.316
219 HD1 HIS 31 HD1 HIS 31 2.595 2.869 5.868
220 HD2 HIS 31 HD2 HIS 31 1.878 1.419 2.042
221 HE1 HIS 31 HE1 HIS 31 4.257 1.013 5.530
222 H THR 32 H THR 32 0.917 3.415 1.012
223 HA THR 32 HA THR 32 3.347 2.494 0.315
224 HB THR 32 HB THR 32 1.404 3.705 -1.661
225 HG1 THR 32 HG1 THR 32 0.927 1.807 0.001
226 HG21 THR 32 3HG2 THR 32 2.388 2.282 -3.302
227 HG22 THR 32 1HG2 THR 32 3.374 1.463 -2.092
228 HG23 THR 32 2HG2 THR 32 3.709 3.143 -2.512
229 H ARG 33 H ARG 33 2.354 5.810 0.245
230 HA ARG 33 HA ARG 33 4.534 6.697 -1.422
231 HB2 ARG 33 1HB ARG 33 3.734 8.964 -0.858
232 HB3 ARG 33 2HB ARG 33 2.444 7.931 -1.459
233 HG2 ARG 33 1HG ARG 33 1.839 7.495 0.954
234 HG3 ARG 33 2HG ARG 33 2.953 8.800 1.370
235 HD2 ARG 33 1HD ARG 33 0.666 9.112 -0.565
236 HD3 ARG 33 2HD ARG 33 0.539 9.468 1.157
237 HE ARG 33 HE ARG 33 2.640 10.962 0.453
238 HH11 ARG 33 1HH1 ARG 33 -0.496 10.564 -1.007
239 HH12 ARG 33 2HH1 ARG 33 -0.543 12.171 -1.654
240 HH21 ARG 33 1HH2 ARG 33 2.590 13.080 -0.394
241 HH22 ARG 33 2HH2 ARG 33 1.213 13.600 -1.306
242 H THR 34 H THR 34 3.753 6.692 2.026
243 HA THR 34 HA THR 34 5.750 8.250 3.064
244 HB THR 34 HB THR 34 3.900 6.885 4.278
245 HG1 THR 34 HG1 THR 34 4.876 7.894 5.852
246 HG21 THR 34 3HG2 THR 34 6.134 5.007 4.915
247 HG22 THR 34 1HG2 THR 34 5.143 4.714 3.486
248 HG23 THR 34 2HG2 THR 34 4.393 4.780 5.081
249 H HIS 35 H HIS 35 6.022 5.063 1.670
250 HA HIS 35 HA HIS 35 8.415 4.150 2.655
251 HB2 HIS 35 1HB HIS 35 7.109 3.910 -0.032
252 HB3 HIS 35 2HB HIS 35 8.720 3.243 0.216
253 HD1 HIS 35 HD1 HIS 35 8.907 1.086 1.543
254 HD2 HIS 35 HD2 HIS 35 5.050 2.629 1.460
255 HE1 HIS 35 HE1 HIS 35 7.438 -0.723 2.489
256 H THR 36 H THR 36 7.867 6.945 0.773
257 HA THR 36 HA THR 36 10.281 7.232 -0.597
258 HB THR 36 HB THR 36 8.618 9.442 0.628
259 HG1 THR 36 HG1 THR 36 8.379 7.922 -1.738
260 HG21 THR 36 3HG2 THR 36 11.088 9.532 -0.724
261 HG22 THR 36 1HG2 THR 36 10.036 10.884 -0.308
262 HG23 THR 36 2HG2 THR 36 9.869 10.085 -1.872
263 H GLY 37 H GLY 37 9.411 8.110 2.723
264 HA2 GLY 37 1HA GLY 37 12.257 8.171 3.391
265 HA3 GLY 37 2HA GLY 37 11.329 9.630 3.706
266 H GLU 38 H GLU 38 11.961 6.359 4.681
267 HA GLU 38 HA GLU 38 10.259 6.770 7.051
268 HB2 GLU 38 1HB GLU 38 9.748 4.844 5.383
269 HB3 GLU 38 2HB GLU 38 11.145 4.061 6.108
270 HG2 GLU 38 1HG GLU 38 9.983 4.468 8.346
271 HG3 GLU 38 2HG GLU 38 8.541 4.803 7.388
272 H SER 39 H SER 39 11.107 6.384 9.064
273 HA SER 39 HA SER 39 12.726 6.376 10.667
274 HB2 SER 39 1HB SER 39 12.690 3.963 10.000
275 HB3 SER 39 2HB SER 39 14.026 4.293 8.897
276 HG SER 39 HG SER 39 14.551 3.491 11.094
277 H GLY 40 H GLY 40 13.036 8.440 8.869
278 HA2 GLY 40 1HA GLY 40 15.776 8.534 7.948
279 HA3 GLY 40 2HA GLY 40 14.589 9.826 7.836
280 HA PRO 41 HA PRO 41 17.758 10.514 11.315
281 HB2 PRO 41 1HB PRO 41 19.218 12.467 10.122
282 HB3 PRO 41 2HB PRO 41 19.617 10.750 9.986
283 HG2 PRO 41 1HG PRO 41 18.171 12.517 8.051
284 HG3 PRO 41 2HG PRO 41 19.421 11.300 7.735
285 HD2 PRO 41 1HD PRO 41 16.785 10.817 7.345
286 HD3 PRO 41 2HD PRO 41 17.924 9.551 7.848
287 H SER 42 H SER 42 15.292 11.998 9.717
288 HA SER 42 HA SER 42 13.997 13.837 10.071
289 HB2 SER 42 1HB SER 42 13.602 14.443 12.347
290 HB3 SER 42 2HB SER 42 13.970 12.719 12.350
291 HG SER 42 HG SER 42 15.249 14.723 13.601
292 H SER 43 H SER 43 16.383 14.404 8.799
293 HA SER 43 HA SER 43 17.334 16.889 10.039
294 HB2 SER 43 1HB SER 43 19.105 15.344 9.421
295 HB3 SER 43 2HB SER 43 18.484 15.242 7.773
296 HG SER 43 HG SER 43 19.858 17.329 9.038
297 H GLY 44 H GLY 44 16.117 15.602 6.960
298 HA2 GLY 44 1HA GLY 44 15.639 18.364 6.058
299 HA3 GLY 44 2HA GLY 44 15.735 16.957 5.011
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -5.118 -26.571 6.969
2 HA2 GLY 1 1HA GLY 1 -5.852 -28.725 5.296
3 HA3 GLY 1 2HA GLY 1 -6.474 -27.084 5.190
4 H SER 2 H SER 2 -3.131 -28.177 4.804
5 HA SER 2 HA SER 2 -2.317 -26.616 2.787
6 HB2 SER 2 1HB SER 2 -1.725 -29.515 3.316
7 HB3 SER 2 2HB SER 2 -0.981 -28.686 1.948
8 HG SER 2 HG SER 2 0.224 -27.551 3.276
9 H SER 3 H SER 3 -4.208 -29.584 2.359
10 HA SER 3 HA SER 3 -4.254 -29.610 -0.438
11 HB2 SER 3 1HB SER 3 -6.356 -30.972 -0.152
12 HB3 SER 3 2HB SER 3 -4.972 -31.558 0.771
13 HG SER 3 HG SER 3 -7.380 -30.691 1.651
14 H GLY 4 H GLY 4 -4.848 -27.925 -1.646
15 HA2 GLY 4 1HA GLY 4 -6.435 -26.563 -2.686
16 HA3 GLY 4 2HA GLY 4 -7.553 -26.902 -1.373
17 H SER 5 H SER 5 -4.939 -24.875 -2.474
18 HA SER 5 HA SER 5 -5.355 -23.111 -0.153
19 HB2 SER 5 1HB SER 5 -3.136 -22.166 -0.662
20 HB3 SER 5 2HB SER 5 -3.045 -23.906 -0.385
21 HG SER 5 HG SER 5 -2.059 -22.717 -2.403
22 H SER 6 H SER 6 -6.796 -21.588 -0.641
23 HA SER 6 HA SER 6 -6.674 -20.340 -3.305
24 HB2 SER 6 1HB SER 6 -8.824 -21.488 -2.619
25 HB3 SER 6 2HB SER 6 -9.004 -20.244 -1.381
26 HG SER 6 HG SER 6 -8.814 -18.714 -3.191
27 H GLY 7 H GLY 7 -7.256 -19.598 0.129
28 HA2 GLY 7 1HA GLY 7 -7.000 -16.769 -0.265
29 HA3 GLY 7 2HA GLY 7 -7.085 -17.603 1.280
30 H THR 8 H THR 8 -4.805 -17.497 -1.464
31 HA THR 8 HA THR 8 -2.622 -17.249 0.496
32 HB THR 8 HB THR 8 -1.124 -18.151 -1.188
33 HG1 THR 8 HG1 THR 8 -3.368 -17.793 -2.830
34 HG21 THR 8 3HG2 THR 8 -2.417 -20.390 -1.611
35 HG22 THR 8 1HG2 THR 8 -3.618 -19.666 -0.542
36 HG23 THR 8 2HG2 THR 8 -1.969 -19.922 0.029
37 H GLY 9 H GLY 9 -3.938 -15.946 -2.507
38 HA2 GLY 9 1HA GLY 9 -1.967 -13.759 -2.380
39 HA3 GLY 9 2HA GLY 9 -2.866 -14.226 -3.815
40 H MET 10 H MET 10 -4.066 -13.671 -0.526
41 HA MET 10 HA MET 10 -6.063 -11.852 -1.598
42 HB2 MET 10 1HB MET 10 -6.387 -13.735 0.202
43 HB3 MET 10 2HB MET 10 -5.808 -12.501 1.314
44 HG2 MET 10 1HG MET 10 -8.042 -11.888 -0.567
45 HG3 MET 10 2HG MET 10 -8.349 -12.795 0.911
46 HE1 MET 10 3HE MET 10 -8.319 -12.140 3.035
47 HE2 MET 10 1HE MET 10 -8.125 -10.526 3.721
48 HE3 MET 10 2HE MET 10 -9.590 -10.933 2.826
49 H LYS 11 H LYS 11 -4.567 -10.150 -2.151
50 HA LYS 11 HA LYS 11 -3.954 -8.453 0.166
51 HB2 LYS 11 1HB LYS 11 -2.106 -9.263 -2.055
52 HB3 LYS 11 2HB LYS 11 -1.895 -7.714 -1.249
53 HG2 LYS 11 1HG LYS 11 -1.431 -8.732 0.817
54 HG3 LYS 11 2HG LYS 11 -2.032 -10.299 0.270
55 HD2 LYS 11 1HD LYS 11 0.292 -10.531 0.200
56 HD3 LYS 11 2HD LYS 11 -0.150 -10.188 -1.474
57 HE2 LYS 11 1HE LYS 11 0.353 -7.772 -1.002
58 HE3 LYS 11 2HE LYS 11 1.008 -8.283 0.552
59 HZ1 LYS 11 3HZ LYS 11 2.809 -8.116 -0.948
60 HZ2 LYS 11 1HZ LYS 11 2.003 -8.997 -2.147
61 HZ3 LYS 11 2HZ LYS 11 2.526 -9.770 -0.736
62 HA PRO 12 HA PRO 12 -6.400 -6.210 -3.081
63 HB2 PRO 12 1HB PRO 12 -8.157 -5.109 -1.328
64 HB3 PRO 12 2HB PRO 12 -8.384 -6.712 -2.037
65 HG2 PRO 12 1HG PRO 12 -7.308 -5.968 0.655
66 HG3 PRO 12 2HG PRO 12 -8.447 -7.256 0.223
67 HD2 PRO 12 1HD PRO 12 -5.820 -7.727 0.682
68 HD3 PRO 12 2HD PRO 12 -6.771 -8.674 -0.480
69 H TYR 13 H TYR 13 -5.842 -4.952 0.217
70 HA TYR 13 HA TYR 13 -4.766 -2.497 -1.009
71 HB2 TYR 13 1HB TYR 13 -5.754 -2.425 1.791
72 HB3 TYR 13 2HB TYR 13 -5.840 -1.195 0.535
73 HD1 TYR 13 HD2 TYR 13 -7.385 -4.324 1.762
74 HD2 TYR 13 HD1 TYR 13 -7.768 -0.970 -0.827
75 HE1 TYR 13 HE2 TYR 13 -9.738 -4.914 1.355
76 HE2 TYR 13 HE1 TYR 13 -10.122 -1.549 -1.240
77 HH TYR 13 HH TYR 13 -11.443 -4.208 -0.932
78 H VAL 14 H VAL 14 -3.580 -5.154 0.061
79 HA VAL 14 HA VAL 14 -1.911 -4.323 2.250
80 HB VAL 14 HB VAL 14 -1.632 -6.761 0.488
81 HG11 VAL 14 1HG1 VAL 14 -0.148 -7.625 2.044
82 HG12 VAL 14 2HG1 VAL 14 0.310 -5.922 1.988
83 HG13 VAL 14 3HG1 VAL 14 -0.682 -6.527 3.316
84 HG21 VAL 14 3HG2 VAL 14 -3.031 -7.941 1.915
85 HG22 VAL 14 1HG2 VAL 14 -2.875 -6.755 3.211
86 HG23 VAL 14 2HG2 VAL 14 -3.842 -6.380 1.784
87 H CYS 15 H CYS 15 0.211 -3.723 2.216
88 HA CYS 15 HA CYS 15 1.206 -2.527 -0.165
89 HB2 CYS 15 1HB CYS 15 1.640 -1.992 2.396
90 HB3 CYS 15 2HB CYS 15 3.008 -3.073 2.151
91 H ASN 16 H ASN 16 1.942 -3.689 -1.817
92 HA ASN 16 HA ASN 16 2.920 -6.334 -1.602
93 HB2 ASN 16 1HB ASN 16 3.210 -4.339 -3.860
94 HB3 ASN 16 2HB ASN 16 3.555 -6.062 -3.981
95 HD21 ASN 16 1HD2 ASN 16 1.616 -7.400 -3.017
96 HD22 ASN 16 2HD2 ASN 16 0.076 -6.970 -3.671
97 H GLU 17 H GLU 17 4.336 -3.537 -0.632
98 HA GLU 17 HA GLU 17 7.056 -4.328 -1.371
99 HB2 GLU 17 1HB GLU 17 6.289 -1.862 0.177
100 HB3 GLU 17 2HB GLU 17 7.753 -2.154 -0.751
101 HG2 GLU 17 1HG GLU 17 6.677 -0.828 -2.227
102 HG3 GLU 17 2HG GLU 17 5.999 -2.376 -2.727
103 H CYS 18 H CYS 18 5.471 -3.104 1.584
104 HA CYS 18 HA CYS 18 7.373 -4.633 3.191
105 HB2 CYS 18 1HB CYS 18 6.467 -3.330 5.091
106 HB3 CYS 18 2HB CYS 18 7.082 -2.299 3.803
107 H GLY 19 H GLY 19 4.065 -4.648 2.202
108 HA2 GLY 19 1HA GLY 19 2.687 -6.563 2.358
109 HA3 GLY 19 2HA GLY 19 3.660 -7.124 3.710
110 H LYS 20 H LYS 20 2.844 -3.844 3.931
111 HA LYS 20 HA LYS 20 1.338 -4.204 6.290
112 HB2 LYS 20 1HB LYS 20 2.675 -2.158 5.624
113 HB3 LYS 20 2HB LYS 20 1.346 -1.735 4.553
114 HG2 LYS 20 1HG LYS 20 0.797 -0.508 6.393
115 HG3 LYS 20 2HG LYS 20 -0.079 -2.000 6.743
116 HD2 LYS 20 1HD LYS 20 1.385 -2.631 8.398
117 HD3 LYS 20 2HD LYS 20 2.731 -1.729 7.699
118 HE2 LYS 20 1HE LYS 20 0.372 -0.229 8.729
119 HE3 LYS 20 2HE LYS 20 1.520 -0.902 9.886
120 HZ1 LYS 20 3HZ LYS 20 2.803 0.845 9.512
121 HZ2 LYS 20 1HZ LYS 20 1.761 1.424 8.312
122 HZ3 LYS 20 2HZ LYS 20 3.006 0.353 7.906
123 H ALA 21 H ALA 21 -0.642 -5.020 6.398
124 HA ALA 21 HA ALA 21 -2.461 -4.784 4.140
125 HB1 ALA 21 3HB ALA 21 -2.138 -6.941 5.351
126 HB2 ALA 21 1HB ALA 21 -2.918 -6.210 6.754
127 HB3 ALA 21 2HB ALA 21 -3.817 -6.411 5.250
128 H PHE 22 H PHE 22 -4.120 -3.408 4.027
129 HA PHE 22 HA PHE 22 -4.838 -1.909 6.460
130 HB2 PHE 22 1HB PHE 22 -4.996 -0.934 3.601
131 HB3 PHE 22 2HB PHE 22 -5.352 0.004 5.048
132 HD1 PHE 22 HD1 PHE 22 -2.603 -1.879 3.396
133 HD2 PHE 22 HD2 PHE 22 -3.695 1.284 6.027
134 HE1 PHE 22 HE1 PHE 22 -0.252 -1.158 3.500
135 HE2 PHE 22 HE2 PHE 22 -1.347 2.010 6.135
136 HZ PHE 22 HZ PHE 22 0.378 0.789 4.870
137 H ARG 23 H ARG 23 -7.100 -0.732 5.919
138 HA ARG 23 HA ARG 23 -8.953 -2.944 5.478
139 HB2 ARG 23 1HB ARG 23 -9.392 -0.167 6.590
140 HB3 ARG 23 2HB ARG 23 -10.643 -1.392 6.436
141 HG2 ARG 23 1HG ARG 23 -9.689 -2.742 8.089
142 HG3 ARG 23 2HG ARG 23 -8.142 -1.897 8.007
143 HD2 ARG 23 1HD ARG 23 -10.713 -0.631 8.940
144 HD3 ARG 23 2HD ARG 23 -9.521 -1.355 10.020
145 HE ARG 23 HE ARG 23 -8.230 0.523 8.391
146 HH11 ARG 23 1HH1 ARG 23 -10.571 0.392 10.965
147 HH12 ARG 23 2HH1 ARG 23 -10.168 1.958 11.587
148 HH21 ARG 23 1HH2 ARG 23 -7.690 2.586 9.201
149 HH22 ARG 23 2HH2 ARG 23 -8.530 3.205 10.582
150 H SER 24 H SER 24 -8.140 0.231 4.200
151 HA SER 24 HA SER 24 -9.837 -0.351 1.869
152 HB2 SER 24 1HB SER 24 -9.509 2.405 3.070
153 HB3 SER 24 2HB SER 24 -10.577 1.937 1.746
154 HG SER 24 HG SER 24 -11.416 2.125 4.053
155 H LYS 25 H LYS 25 -9.217 0.958 -0.059
156 HA LYS 25 HA LYS 25 -6.439 0.690 -0.559
157 HB2 LYS 25 1HB LYS 25 -6.970 1.753 -2.744
158 HB3 LYS 25 2HB LYS 25 -8.016 0.392 -2.359
159 HG2 LYS 25 1HG LYS 25 -9.575 1.867 -3.095
160 HG3 LYS 25 2HG LYS 25 -9.553 2.308 -1.386
161 HD2 LYS 25 1HD LYS 25 -9.360 4.380 -2.347
162 HD3 LYS 25 2HD LYS 25 -7.656 3.954 -2.177
163 HE2 LYS 25 1HE LYS 25 -7.783 4.721 -4.362
164 HE3 LYS 25 2HE LYS 25 -7.903 2.973 -4.553
165 HZ1 LYS 25 3HZ LYS 25 -10.485 3.949 -4.202
166 HZ2 LYS 25 1HZ LYS 25 -9.810 3.283 -5.604
167 HZ3 LYS 25 2HZ LYS 25 -9.739 4.953 -5.341
168 H SER 26 H SER 26 -8.519 3.432 0.185
169 HA SER 26 HA SER 26 -6.614 5.456 -0.345
170 HB2 SER 26 1HB SER 26 -9.009 5.945 -0.189
171 HB3 SER 26 2HB SER 26 -9.005 5.491 1.515
172 HG SER 26 HG SER 26 -8.379 7.437 1.946
173 H TYR 27 H TYR 27 -6.953 3.217 2.213
174 HA TYR 27 HA TYR 27 -5.522 4.797 4.166
175 HB2 TYR 27 1HB TYR 27 -7.321 2.877 4.509
176 HB3 TYR 27 2HB TYR 27 -5.890 1.852 4.479
177 HD1 TYR 27 HD2 TYR 27 -6.355 5.261 5.914
178 HD2 TYR 27 HD1 TYR 27 -5.582 1.147 6.674
179 HE1 TYR 27 HE2 TYR 27 -5.938 5.783 8.281
180 HE2 TYR 27 HE1 TYR 27 -5.164 1.657 9.043
181 HH TYR 27 HH TYR 27 -4.350 4.155 10.271
182 H LEU 28 H LEU 28 -4.814 2.384 1.764
183 HA LEU 28 HA LEU 28 -2.155 1.862 2.786
184 HB2 LEU 28 1HB LEU 28 -2.935 -0.039 1.799
185 HB3 LEU 28 2HB LEU 28 -3.843 0.841 0.571
186 HG LEU 28 HG LEU 28 -1.579 1.370 -0.483
187 HD11 LEU 28 1HD1 LEU 28 -0.789 -0.430 1.719
188 HD12 LEU 28 2HD1 LEU 28 0.115 0.854 0.918
189 HD13 LEU 28 3HD1 LEU 28 -0.039 -0.726 0.150
190 HD21 LEU 28 3HD2 LEU 28 -1.501 -1.295 -1.099
191 HD22 LEU 28 1HD2 LEU 28 -2.564 -0.103 -1.848
192 HD23 LEU 28 2HD2 LEU 28 -3.152 -1.091 -0.511
193 H ILE 29 H ILE 29 -3.671 3.724 0.222
194 HA ILE 29 HA ILE 29 -1.362 4.394 -1.228
195 HB ILE 29 HB ILE 29 -3.966 5.877 -0.889
196 HG12 ILE 29 1HG1 ILE 29 -3.048 4.588 -3.421
197 HG13 ILE 29 2HG1 ILE 29 -3.629 3.552 -2.122
198 HG21 ILE 29 1HG2 ILE 29 -3.108 6.978 -3.095
199 HG22 ILE 29 2HG2 ILE 29 -2.601 7.613 -1.531
200 HG23 ILE 29 3HG2 ILE 29 -1.519 6.567 -2.449
201 HD11 ILE 29 3HD1 ILE 29 -5.751 4.728 -2.112
202 HD12 ILE 29 1HD1 ILE 29 -5.171 5.810 -3.378
203 HD13 ILE 29 2HD1 ILE 29 -5.389 4.092 -3.717
204 H ILE 30 H ILE 30 -2.887 5.898 1.578
205 HA ILE 30 HA ILE 30 -1.228 8.197 1.640
206 HB ILE 30 HB ILE 30 -1.992 8.414 4.007
207 HG12 ILE 30 1HG1 ILE 30 -3.879 6.143 3.567
208 HG13 ILE 30 2HG1 ILE 30 -2.236 5.771 4.080
209 HG21 ILE 30 1HG2 ILE 30 -3.320 8.951 1.746
210 HG22 ILE 30 2HG2 ILE 30 -4.465 7.841 2.497
211 HG23 ILE 30 3HG2 ILE 30 -3.966 9.303 3.348
212 HD11 ILE 30 3HD1 ILE 30 -2.506 6.790 6.126
213 HD12 ILE 30 1HD1 ILE 30 -3.836 7.803 5.565
214 HD13 ILE 30 2HD1 ILE 30 -4.097 6.082 5.847
215 H HIS 31 H HIS 31 -0.718 4.931 2.534
216 HA HIS 31 HA HIS 31 1.508 5.582 4.308
217 HB2 HIS 31 1HB HIS 31 0.458 3.788 5.268
218 HB3 HIS 31 2HB HIS 31 -0.090 3.145 3.723
219 HD1 HIS 31 HD1 HIS 31 2.192 2.414 6.349
220 HD2 HIS 31 HD2 HIS 31 2.287 2.034 2.213
221 HE1 HIS 31 HE1 HIS 31 3.999 0.732 5.870
222 H THR 32 H THR 32 0.868 4.007 1.208
223 HA THR 32 HA THR 32 3.339 3.011 0.566
224 HB THR 32 HB THR 32 1.209 2.920 -0.833
225 HG1 THR 32 HG1 THR 32 3.840 3.168 -1.737
226 HG21 THR 32 3HG2 THR 32 2.100 5.106 -2.535
227 HG22 THR 32 1HG2 THR 32 1.557 5.660 -0.952
228 HG23 THR 32 2HG2 THR 32 0.478 4.704 -1.970
229 H ARG 33 H ARG 33 2.424 6.312 0.915
230 HA ARG 33 HA ARG 33 4.529 7.439 -0.657
231 HB2 ARG 33 1HB ARG 33 3.926 9.530 0.728
232 HB3 ARG 33 2HB ARG 33 2.712 8.875 -0.362
233 HG2 ARG 33 1HG ARG 33 1.419 8.040 1.369
234 HG3 ARG 33 2HG ARG 33 2.765 8.056 2.511
235 HD2 ARG 33 1HD ARG 33 1.575 10.557 1.333
236 HD3 ARG 33 2HD ARG 33 1.006 9.840 2.840
237 HE ARG 33 HE ARG 33 3.845 10.366 2.735
238 HH11 ARG 33 1HH1 ARG 33 0.695 11.575 3.593
239 HH12 ARG 33 2HH1 ARG 33 1.306 12.736 4.725
240 HH21 ARG 33 1HH2 ARG 33 4.661 11.890 4.222
241 HH22 ARG 33 2HH2 ARG 33 3.562 12.915 5.082
242 H THR 34 H THR 34 4.139 6.514 2.703
243 HA THR 34 HA THR 34 6.303 7.826 3.849
244 HB THR 34 HB THR 34 6.269 6.155 5.597
245 HG1 THR 34 HG1 THR 34 4.735 4.314 5.191
246 HG21 THR 34 3HG2 THR 34 3.868 6.162 6.168
247 HG22 THR 34 1HG2 THR 34 3.495 6.694 4.529
248 HG23 THR 34 2HG2 THR 34 4.424 7.738 5.605
249 H HIS 35 H HIS 35 6.307 5.398 1.484
250 HA HIS 35 HA HIS 35 8.912 4.327 2.156
251 HB2 HIS 35 1HB HIS 35 7.005 3.862 -0.133
252 HB3 HIS 35 2HB HIS 35 8.615 3.150 -0.093
253 HD1 HIS 35 HD1 HIS 35 9.070 1.410 1.853
254 HD2 HIS 35 HD2 HIS 35 5.109 2.574 1.388
255 HE1 HIS 35 HE1 HIS 35 7.717 -0.285 3.126
256 H THR 36 H THR 36 8.287 7.235 1.311
257 HA THR 36 HA THR 36 9.746 7.589 -1.135
258 HB THR 36 HB THR 36 7.996 9.181 -0.498
259 HG1 THR 36 HG1 THR 36 10.157 9.771 -1.606
260 HG21 THR 36 3HG2 THR 36 8.391 9.079 1.952
261 HG22 THR 36 1HG2 THR 36 8.282 10.728 1.336
262 HG23 THR 36 2HG2 THR 36 9.856 10.033 1.723
263 H GLY 37 H GLY 37 10.492 7.652 2.282
264 HA2 GLY 37 1HA GLY 37 12.860 9.058 2.356
265 HA3 GLY 37 2HA GLY 37 12.517 7.664 3.370
266 H GLU 38 H GLU 38 12.546 5.555 1.759
267 HA GLU 38 HA GLU 38 15.243 5.030 1.329
268 HB2 GLU 38 1HB GLU 38 13.613 3.251 1.625
269 HB3 GLU 38 2HB GLU 38 12.823 3.686 0.116
270 HG2 GLU 38 1HG GLU 38 14.112 1.804 -0.385
271 HG3 GLU 38 2HG GLU 38 15.028 3.169 -1.020
272 H SER 39 H SER 39 12.741 5.479 -1.177
273 HA SER 39 HA SER 39 14.701 5.764 -3.250
274 HB2 SER 39 1HB SER 39 12.759 6.241 -4.703
275 HB3 SER 39 2HB SER 39 12.509 4.788 -3.736
276 HG SER 39 HG SER 39 11.519 6.557 -2.232
277 H GLY 40 H GLY 40 14.208 7.750 -4.830
278 HA2 GLY 40 1HA GLY 40 13.596 10.249 -3.633
279 HA3 GLY 40 2HA GLY 40 15.336 10.005 -3.664
280 HA PRO 41 HA PRO 41 13.803 10.127 -8.268
281 HB2 PRO 41 1HB PRO 41 11.306 11.125 -8.643
282 HB3 PRO 41 2HB PRO 41 11.629 9.400 -8.427
283 HG2 PRO 41 1HG PRO 41 10.672 11.414 -6.429
284 HG3 PRO 41 2HG PRO 41 10.118 9.750 -6.694
285 HD2 PRO 41 1HD PRO 41 11.817 10.418 -4.694
286 HD3 PRO 41 2HD PRO 41 11.875 8.842 -5.511
287 H SER 42 H SER 42 14.789 11.794 -9.205
288 HA SER 42 HA SER 42 14.171 14.513 -8.252
289 HB2 SER 42 1HB SER 42 16.419 15.156 -8.729
290 HB3 SER 42 2HB SER 42 16.518 13.627 -7.856
291 HG SER 42 HG SER 42 16.765 12.588 -9.889
292 H SER 43 H SER 43 14.339 16.237 -9.854
293 HA SER 43 HA SER 43 13.656 17.207 -11.797
294 HB2 SER 43 1HB SER 43 15.793 16.299 -12.605
295 HB3 SER 43 2HB SER 43 14.995 14.783 -13.023
296 HG SER 43 HG SER 43 13.905 17.113 -14.078
297 H GLY 44 H GLY 44 11.685 15.748 -10.513
298 HA2 GLY 44 1HA GLY 44 9.448 15.628 -11.587
299 HA3 GLY 44 2HA GLY 44 10.199 14.590 -12.791
Start of MODEL 4
1 H1 GLY 1 H GLY 1 0.640 -33.353 -13.003
2 HA2 GLY 1 1HA GLY 1 2.673 -32.424 -11.549
3 HA3 GLY 1 2HA GLY 1 1.264 -31.421 -11.861
4 H SER 2 H SER 2 1.798 -30.369 -9.840
5 HA SER 2 HA SER 2 0.470 -31.681 -7.605
6 HB2 SER 2 1HB SER 2 2.246 -31.435 -6.058
7 HB3 SER 2 2HB SER 2 2.990 -32.137 -7.495
8 HG SER 2 HG SER 2 3.954 -30.252 -7.941
9 H SER 3 H SER 3 -0.548 -30.280 -6.230
10 HA SER 3 HA SER 3 -1.309 -27.779 -7.136
11 HB2 SER 3 1HB SER 3 -1.371 -29.063 -4.420
12 HB3 SER 3 2HB SER 3 -1.915 -27.400 -4.634
13 HG SER 3 HG SER 3 -3.689 -28.144 -5.456
14 H GLY 4 H GLY 4 -0.436 -25.804 -7.108
15 HA2 GLY 4 1HA GLY 4 1.705 -25.210 -5.193
16 HA3 GLY 4 2HA GLY 4 2.053 -25.036 -6.907
17 H SER 5 H SER 5 2.336 -22.891 -5.233
18 HA SER 5 HA SER 5 0.253 -21.208 -4.731
19 HB2 SER 5 1HB SER 5 2.949 -20.430 -5.870
20 HB3 SER 5 2HB SER 5 1.828 -19.331 -5.067
21 HG SER 5 HG SER 5 2.058 -20.589 -3.180
22 H SER 6 H SER 6 -1.192 -20.064 -5.864
23 HA SER 6 HA SER 6 -0.886 -19.994 -8.794
24 HB2 SER 6 1HB SER 6 -3.320 -20.041 -8.962
25 HB3 SER 6 2HB SER 6 -2.759 -21.419 -8.016
26 HG SER 6 HG SER 6 -3.784 -18.985 -6.971
27 H GLY 7 H GLY 7 -2.171 -18.236 -5.990
28 HA2 GLY 7 1HA GLY 7 -2.205 -15.776 -7.602
29 HA3 GLY 7 2HA GLY 7 -3.053 -16.011 -6.081
30 H THR 8 H THR 8 0.174 -15.691 -7.499
31 HA THR 8 HA THR 8 1.761 -15.532 -5.287
32 HB THR 8 HB THR 8 3.156 -13.860 -6.554
33 HG1 THR 8 HG1 THR 8 2.253 -13.787 -8.881
34 HG21 THR 8 3HG2 THR 8 2.335 -16.099 -8.373
35 HG22 THR 8 1HG2 THR 8 3.152 -16.426 -6.846
36 HG23 THR 8 2HG2 THR 8 3.944 -15.443 -8.077
37 H GLY 9 H GLY 9 -0.424 -13.057 -6.520
38 HA2 GLY 9 1HA GLY 9 -0.044 -11.592 -3.993
39 HA3 GLY 9 2HA GLY 9 0.001 -10.729 -5.523
40 H MET 10 H MET 10 -2.023 -12.460 -3.255
41 HA MET 10 HA MET 10 -4.399 -11.438 -4.666
42 HB2 MET 10 1HB MET 10 -4.046 -13.868 -2.913
43 HB3 MET 10 2HB MET 10 -5.625 -13.239 -3.364
44 HG2 MET 10 1HG MET 10 -5.043 -13.552 -5.735
45 HG3 MET 10 2HG MET 10 -3.503 -14.251 -5.241
46 HE1 MET 10 3HE MET 10 -6.403 -16.346 -6.850
47 HE2 MET 10 1HE MET 10 -7.555 -15.781 -5.640
48 HE3 MET 10 2HE MET 10 -6.562 -14.620 -6.521
49 H LYS 11 H LYS 11 -2.923 -9.776 -2.960
50 HA LYS 11 HA LYS 11 -4.403 -9.701 -0.443
51 HB2 LYS 11 1HB LYS 11 -1.897 -8.448 -1.461
52 HB3 LYS 11 2HB LYS 11 -2.786 -7.606 -0.199
53 HG2 LYS 11 1HG LYS 11 -2.455 -9.309 1.346
54 HG3 LYS 11 2HG LYS 11 -2.080 -10.499 0.097
55 HD2 LYS 11 1HD LYS 11 -0.343 -8.102 0.645
56 HD3 LYS 11 2HD LYS 11 -0.122 -9.651 1.462
57 HE2 LYS 11 1HE LYS 11 -0.296 -9.642 -1.505
58 HE3 LYS 11 2HE LYS 11 1.183 -9.036 -0.761
59 HZ1 LYS 11 3HZ LYS 11 1.125 -11.478 -1.318
60 HZ2 LYS 11 1HZ LYS 11 0.018 -11.663 -0.052
61 HZ3 LYS 11 2HZ LYS 11 1.578 -11.093 0.266
62 HA PRO 12 HA PRO 12 -7.233 -6.634 -1.851
63 HB2 PRO 12 1HB PRO 12 -7.940 -5.580 0.549
64 HB3 PRO 12 2HB PRO 12 -8.492 -7.165 -0.004
65 HG2 PRO 12 1HG PRO 12 -6.263 -6.485 1.874
66 HG3 PRO 12 2HG PRO 12 -7.483 -7.765 2.003
67 HD2 PRO 12 1HD PRO 12 -4.956 -8.241 1.154
68 HD3 PRO 12 2HD PRO 12 -6.353 -9.161 0.559
69 H TYR 13 H TYR 13 -6.271 -4.896 0.992
70 HA TYR 13 HA TYR 13 -5.099 -2.809 -0.719
71 HB2 TYR 13 1HB TYR 13 -5.942 -2.180 2.060
72 HB3 TYR 13 2HB TYR 13 -6.052 -1.201 0.602
73 HD1 TYR 13 HD2 TYR 13 -7.582 -4.128 2.310
74 HD2 TYR 13 HD1 TYR 13 -8.078 -1.024 -0.557
75 HE1 TYR 13 HE2 TYR 13 -9.967 -4.696 2.116
76 HE2 TYR 13 HE1 TYR 13 -10.465 -1.582 -0.758
77 HH TYR 13 HH TYR 13 -11.854 -4.349 0.953
78 H VAL 14 H VAL 14 -3.858 -5.233 0.679
79 HA VAL 14 HA VAL 14 -2.116 -4.141 2.676
80 HB VAL 14 HB VAL 14 -1.674 -6.713 1.172
81 HG11 VAL 14 1HG1 VAL 14 -1.092 -6.207 4.062
82 HG12 VAL 14 2HG1 VAL 14 -0.350 -7.365 2.956
83 HG13 VAL 14 3HG1 VAL 14 0.025 -5.647 2.818
84 HG21 VAL 14 3HG2 VAL 14 -4.023 -6.144 2.422
85 HG22 VAL 14 1HG2 VAL 14 -3.349 -7.763 2.239
86 HG23 VAL 14 2HG2 VAL 14 -3.094 -6.865 3.736
87 H CYS 15 H CYS 15 0.053 -3.635 2.516
88 HA CYS 15 HA CYS 15 0.919 -2.531 0.051
89 HB2 CYS 15 1HB CYS 15 1.558 -1.973 2.562
90 HB3 CYS 15 2HB CYS 15 2.866 -3.106 2.241
91 H ASN 16 H ASN 16 1.814 -3.530 -1.617
92 HA ASN 16 HA ASN 16 2.724 -6.266 -1.365
93 HB2 ASN 16 1HB ASN 16 2.533 -4.431 -3.764
94 HB3 ASN 16 2HB ASN 16 3.006 -6.126 -3.837
95 HD21 ASN 16 1HD2 ASN 16 0.396 -3.967 -2.860
96 HD22 ASN 16 2HD2 ASN 16 -0.884 -5.090 -3.153
97 H GLU 17 H GLU 17 4.259 -4.123 -0.071
98 HA GLU 17 HA GLU 17 6.842 -4.661 -1.365
99 HB2 GLU 17 1HB GLU 17 6.134 -2.018 -0.090
100 HB3 GLU 17 2HB GLU 17 7.602 -2.417 -0.972
101 HG2 GLU 17 1HG GLU 17 5.007 -2.679 -2.387
102 HG3 GLU 17 2HG GLU 17 5.631 -1.060 -2.078
103 H CYS 18 H CYS 18 5.106 -3.769 1.576
104 HA CYS 18 HA CYS 18 7.326 -4.907 3.146
105 HB2 CYS 18 1HB CYS 18 6.618 -3.422 4.996
106 HB3 CYS 18 2HB CYS 18 7.132 -2.522 3.572
107 H GLY 19 H GLY 19 3.846 -4.659 2.726
108 HA2 GLY 19 1HA GLY 19 2.516 -6.657 3.080
109 HA3 GLY 19 2HA GLY 19 3.561 -7.044 4.439
110 H LYS 20 H LYS 20 2.571 -3.765 4.035
111 HA LYS 20 HA LYS 20 1.261 -3.764 6.577
112 HB2 LYS 20 1HB LYS 20 2.581 -1.865 5.283
113 HB3 LYS 20 2HB LYS 20 0.976 -1.486 4.669
114 HG2 LYS 20 1HG LYS 20 1.325 -0.114 6.557
115 HG3 LYS 20 2HG LYS 20 0.202 -1.380 7.058
116 HD2 LYS 20 1HD LYS 20 2.204 -2.635 7.948
117 HD3 LYS 20 2HD LYS 20 3.145 -1.168 7.665
118 HE2 LYS 20 1HE LYS 20 2.062 0.006 9.322
119 HE3 LYS 20 2HE LYS 20 0.611 -0.991 9.227
120 HZ1 LYS 20 3HZ LYS 20 3.122 -2.204 10.149
121 HZ2 LYS 20 1HZ LYS 20 1.526 -2.610 10.538
122 HZ3 LYS 20 2HZ LYS 20 2.238 -1.236 11.218
123 H ALA 21 H ALA 21 -0.705 -4.586 6.844
124 HA ALA 21 HA ALA 21 -2.625 -4.567 4.657
125 HB1 ALA 21 3HB ALA 21 -2.677 -6.631 5.675
126 HB2 ALA 21 1HB ALA 21 -2.448 -5.960 7.290
127 HB3 ALA 21 2HB ALA 21 -4.011 -5.811 6.487
128 H PHE 22 H PHE 22 -4.316 -3.229 4.501
129 HA PHE 22 HA PHE 22 -4.969 -1.543 6.827
130 HB2 PHE 22 1HB PHE 22 -5.059 -0.705 3.922
131 HB3 PHE 22 2HB PHE 22 -5.429 0.309 5.313
132 HD1 PHE 22 HD2 PHE 22 -3.667 1.176 6.726
133 HD2 PHE 22 HD1 PHE 22 -2.782 -1.266 3.355
134 HE1 PHE 22 HE2 PHE 22 -1.308 1.865 6.850
135 HE2 PHE 22 HE1 PHE 22 -0.421 -0.582 3.474
136 HZ PHE 22 HZ PHE 22 0.318 0.987 5.222
137 H ARG 23 H ARG 23 -7.198 -0.377 6.297
138 HA ARG 23 HA ARG 23 -9.094 -2.552 5.915
139 HB2 ARG 23 1HB ARG 23 -10.703 -1.163 6.970
140 HB3 ARG 23 2HB ARG 23 -9.205 -0.941 7.863
141 HG2 ARG 23 1HG ARG 23 -8.955 1.216 7.187
142 HG3 ARG 23 2HG ARG 23 -9.780 0.945 5.650
143 HD2 ARG 23 1HD ARG 23 -11.371 0.693 8.145
144 HD3 ARG 23 2HD ARG 23 -10.893 2.312 7.636
145 HE ARG 23 HE ARG 23 -12.115 0.698 5.575
146 HH11 ARG 23 1HH1 ARG 23 -12.612 3.010 8.130
147 HH12 ARG 23 2HH1 ARG 23 -14.121 3.579 7.499
148 HH21 ARG 23 1HH2 ARG 23 -14.102 1.439 4.734
149 HH22 ARG 23 2HH2 ARG 23 -14.968 2.684 5.568
150 H SER 24 H SER 24 -8.003 0.342 4.333
151 HA SER 24 HA SER 24 -9.663 -0.313 2.027
152 HB2 SER 24 1HB SER 24 -10.974 1.342 3.316
153 HB3 SER 24 2HB SER 24 -9.613 2.462 3.239
154 HG SER 24 HG SER 24 -10.664 1.381 0.869
155 H LYS 25 H LYS 25 -8.958 0.762 0.059
156 HA LYS 25 HA LYS 25 -6.209 0.657 -0.335
157 HB2 LYS 25 1HB LYS 25 -8.261 0.713 -2.009
158 HB3 LYS 25 2HB LYS 25 -7.861 2.423 -2.086
159 HG2 LYS 25 1HG LYS 25 -5.831 2.045 -3.095
160 HG3 LYS 25 2HG LYS 25 -5.704 0.401 -2.466
161 HD2 LYS 25 1HD LYS 25 -6.150 0.152 -4.764
162 HD3 LYS 25 2HD LYS 25 -7.691 -0.154 -3.959
163 HE2 LYS 25 1HE LYS 25 -8.607 1.841 -4.668
164 HE3 LYS 25 2HE LYS 25 -7.034 2.612 -4.869
165 HZ1 LYS 25 3HZ LYS 25 -8.269 1.999 -6.965
166 HZ2 LYS 25 1HZ LYS 25 -7.929 0.383 -6.599
167 HZ3 LYS 25 2HZ LYS 25 -6.664 1.474 -6.869
168 H SER 26 H SER 26 -8.298 3.442 0.292
169 HA SER 26 HA SER 26 -6.563 5.526 -0.139
170 HB2 SER 26 1HB SER 26 -9.020 5.575 0.643
171 HB3 SER 26 2HB SER 26 -8.364 5.478 2.277
172 HG SER 26 HG SER 26 -8.670 7.640 1.640
173 H TYR 27 H TYR 27 -6.768 3.418 2.685
174 HA TYR 27 HA TYR 27 -4.850 4.835 4.234
175 HB2 TYR 27 1HB TYR 27 -6.239 2.211 4.420
176 HB3 TYR 27 2HB TYR 27 -4.753 2.403 5.344
177 HD1 TYR 27 HD1 TYR 27 -4.808 5.075 6.351
178 HD2 TYR 27 HD2 TYR 27 -8.056 2.377 5.830
179 HE1 TYR 27 HE1 TYR 27 -6.055 6.244 8.119
180 HE2 TYR 27 HE2 TYR 27 -9.313 3.539 7.596
181 HH TYR 27 HH TYR 27 -8.481 5.068 9.743
182 H LEU 28 H LEU 28 -4.658 2.379 1.780
183 HA LEU 28 HA LEU 28 -1.905 1.714 2.359
184 HB2 LEU 28 1HB LEU 28 -3.152 -0.077 1.512
185 HB3 LEU 28 2HB LEU 28 -3.866 0.910 0.238
186 HG LEU 28 HG LEU 28 -1.551 1.018 -0.789
187 HD11 LEU 28 1HD1 LEU 28 0.113 -0.493 -0.121
188 HD12 LEU 28 2HD1 LEU 28 -0.989 -1.376 0.934
189 HD13 LEU 28 3HD1 LEU 28 -0.458 0.246 1.376
190 HD21 LEU 28 3HD2 LEU 28 -2.381 -0.521 -2.154
191 HD22 LEU 28 1HD2 LEU 28 -3.577 -0.933 -0.925
192 HD23 LEU 28 2HD2 LEU 28 -2.039 -1.794 -0.981
193 H ILE 29 H ILE 29 -3.660 3.884 0.295
194 HA ILE 29 HA ILE 29 -1.501 4.418 -1.507
195 HB ILE 29 HB ILE 29 -3.982 6.048 -0.950
196 HG12 ILE 29 1HG1 ILE 29 -3.595 4.376 -3.395
197 HG13 ILE 29 2HG1 ILE 29 -4.051 3.574 -1.896
198 HG21 ILE 29 1HG2 ILE 29 -3.314 7.533 -2.476
199 HG22 ILE 29 2HG2 ILE 29 -1.708 6.829 -2.290
200 HG23 ILE 29 3HG2 ILE 29 -2.770 6.274 -3.584
201 HD11 ILE 29 3HD1 ILE 29 -5.866 4.379 -3.581
202 HD12 ILE 29 1HD1 ILE 29 -6.119 4.553 -1.845
203 HD13 ILE 29 2HD1 ILE 29 -5.607 5.941 -2.805
204 H ILE 30 H ILE 30 -2.714 5.862 1.461
205 HA ILE 30 HA ILE 30 -0.989 8.151 1.326
206 HB ILE 30 HB ILE 30 -1.710 8.583 3.641
207 HG12 ILE 30 1HG1 ILE 30 -3.702 6.944 4.309
208 HG13 ILE 30 2HG1 ILE 30 -2.753 5.805 3.360
209 HG21 ILE 30 1HG2 ILE 30 -4.338 8.069 2.692
210 HG22 ILE 30 2HG2 ILE 30 -3.447 9.591 2.703
211 HG23 ILE 30 3HG2 ILE 30 -3.325 8.508 1.316
212 HD11 ILE 30 3HD1 ILE 30 -1.294 7.384 5.382
213 HD12 ILE 30 1HD1 ILE 30 -2.417 6.161 5.976
214 HD13 ILE 30 2HD1 ILE 30 -1.102 5.701 4.894
215 H HIS 31 H HIS 31 -0.626 4.903 2.303
216 HA HIS 31 HA HIS 31 1.648 5.485 4.040
217 HB2 HIS 31 1HB HIS 31 0.480 3.772 5.037
218 HB3 HIS 31 2HB HIS 31 -0.041 3.088 3.499
219 HD1 HIS 31 HD1 HIS 31 2.478 2.731 6.131
220 HD2 HIS 31 HD2 HIS 31 2.014 1.524 2.182
221 HE1 HIS 31 HE1 HIS 31 4.168 0.901 5.784
222 H THR 32 H THR 32 0.928 3.635 1.089
223 HA THR 32 HA THR 32 3.403 2.657 0.463
224 HB THR 32 HB THR 32 1.276 2.321 -0.855
225 HG1 THR 32 HG1 THR 32 3.837 2.697 -1.897
226 HG21 THR 32 3HG2 THR 32 2.120 4.763 -2.391
227 HG22 THR 32 1HG2 THR 32 0.924 4.847 -1.099
228 HG23 THR 32 2HG2 THR 32 0.619 3.846 -2.518
229 H ARG 33 H ARG 33 2.325 5.961 0.327
230 HA ARG 33 HA ARG 33 4.481 6.908 -1.306
231 HB2 ARG 33 1HB ARG 33 3.673 9.140 -0.718
232 HB3 ARG 33 2HB ARG 33 2.343 8.099 -1.208
233 HG2 ARG 33 1HG ARG 33 2.172 7.673 1.387
234 HG3 ARG 33 2HG ARG 33 2.982 9.240 1.457
235 HD2 ARG 33 1HD ARG 33 0.422 8.655 -0.028
236 HD3 ARG 33 2HD ARG 33 0.533 9.448 1.543
237 HE ARG 33 HE ARG 33 0.971 10.638 -1.015
238 HH11 ARG 33 1HH1 ARG 33 1.900 10.760 2.338
239 HH12 ARG 33 2HH1 ARG 33 2.347 12.434 2.288
240 HH21 ARG 33 1HH2 ARG 33 1.556 12.841 -1.093
241 HH22 ARG 33 2HH2 ARG 33 2.150 13.616 0.336
242 H THR 34 H THR 34 3.767 6.913 2.167
243 HA THR 34 HA THR 34 5.830 8.417 3.151
244 HB THR 34 HB THR 34 5.664 7.215 5.218
245 HG1 THR 34 HG1 THR 34 4.880 5.130 3.536
246 HG21 THR 34 3HG2 THR 34 3.299 7.943 3.703
247 HG22 THR 34 1HG2 THR 34 3.690 8.250 5.395
248 HG23 THR 34 2HG2 THR 34 2.948 6.720 4.924
249 H HIS 35 H HIS 35 5.963 5.151 1.885
250 HA HIS 35 HA HIS 35 8.370 4.228 2.812
251 HB2 HIS 35 1HB HIS 35 6.857 3.855 0.277
252 HB3 HIS 35 2HB HIS 35 8.528 3.299 0.308
253 HD1 HIS 35 HD1 HIS 35 8.984 1.764 2.653
254 HD2 HIS 35 HD2 HIS 35 5.167 1.897 1.019
255 HE1 HIS 35 HE1 HIS 35 7.797 -0.262 3.553
256 H THR 36 H THR 36 7.790 6.705 0.411
257 HA THR 36 HA THR 36 9.251 7.871 -0.956
258 HB THR 36 HB THR 36 10.936 9.131 0.437
259 HG1 THR 36 HG1 THR 36 11.454 8.052 2.200
260 HG21 THR 36 3HG2 THR 36 8.585 9.880 0.083
261 HG22 THR 36 1HG2 THR 36 9.279 10.426 1.609
262 HG23 THR 36 2HG2 THR 36 8.146 9.075 1.589
263 H GLY 37 H GLY 37 9.880 5.134 -1.110
264 HA2 GLY 37 1HA GLY 37 11.556 3.760 -1.864
265 HA3 GLY 37 2HA GLY 37 12.460 5.226 -2.211
266 H GLU 38 H GLU 38 11.412 3.463 0.711
267 HA GLU 38 HA GLU 38 14.095 3.912 1.825
268 HB2 GLU 38 1HB GLU 38 13.075 3.449 4.014
269 HB3 GLU 38 2HB GLU 38 12.277 4.782 3.191
270 HG2 GLU 38 1HG GLU 38 10.472 3.627 3.964
271 HG3 GLU 38 2HG GLU 38 10.654 2.904 2.367
272 H SER 39 H SER 39 11.653 1.427 1.250
273 HA SER 39 HA SER 39 13.182 -0.704 2.368
274 HB2 SER 39 1HB SER 39 11.509 -2.149 1.119
275 HB3 SER 39 2HB SER 39 10.815 -1.001 2.264
276 HG SER 39 HG SER 39 10.961 -0.759 -0.557
277 H GLY 40 H GLY 40 13.018 0.821 -0.753
278 HA2 GLY 40 1HA GLY 40 14.772 0.672 -2.338
279 HA3 GLY 40 2HA GLY 40 15.233 -0.875 -1.645
280 HA PRO 41 HA PRO 41 12.260 -1.190 -5.421
281 HB2 PRO 41 1HB PRO 41 14.030 -1.246 -7.479
282 HB3 PRO 41 2HB PRO 41 13.269 0.243 -6.907
283 HG2 PRO 41 1HG PRO 41 15.993 -0.843 -6.307
284 HG3 PRO 41 2HG PRO 41 15.510 0.821 -6.682
285 HD2 PRO 41 1HD PRO 41 15.979 -0.025 -4.153
286 HD3 PRO 41 2HD PRO 41 14.779 1.227 -4.535
287 H SER 42 H SER 42 11.990 -3.274 -4.522
288 HA SER 42 HA SER 42 14.004 -5.295 -5.127
289 HB2 SER 42 1HB SER 42 12.828 -6.732 -3.639
290 HB3 SER 42 2HB SER 42 12.814 -5.141 -2.879
291 HG SER 42 HG SER 42 10.745 -6.643 -3.445
292 H SER 43 H SER 43 12.854 -4.240 -7.400
293 HA SER 43 HA SER 43 11.955 -4.897 -9.385
294 HB2 SER 43 1HB SER 43 13.096 -7.125 -8.534
295 HB3 SER 43 2HB SER 43 11.423 -7.660 -8.370
296 HG SER 43 HG SER 43 11.268 -6.790 -10.649
297 H GLY 44 H GLY 44 10.273 -3.668 -7.555
298 HA2 GLY 44 1HA GLY 44 7.751 -5.168 -7.695
299 HA3 GLY 44 2HA GLY 44 8.054 -3.762 -6.686
Start of MODEL 5
1 H1 GLY 1 H GLY 1 9.160 -21.729 -2.628
2 HA2 GLY 1 1HA GLY 1 9.037 -24.283 -3.917
3 HA3 GLY 1 2HA GLY 1 7.623 -23.301 -4.272
4 H SER 2 H SER 2 9.462 -24.182 -6.214
5 HA SER 2 HA SER 2 11.487 -22.430 -6.907
6 HB2 SER 2 1HB SER 2 11.042 -23.165 -9.274
7 HB3 SER 2 2HB SER 2 11.217 -24.488 -8.120
8 HG SER 2 HG SER 2 9.220 -24.093 -9.742
9 H SER 3 H SER 3 8.065 -22.296 -7.880
10 HA SER 3 HA SER 3 8.476 -19.466 -8.595
11 HB2 SER 3 1HB SER 3 6.603 -21.527 -9.763
12 HB3 SER 3 2HB SER 3 6.426 -19.799 -10.064
13 HG SER 3 HG SER 3 7.991 -19.923 -11.451
14 H GLY 4 H GLY 4 7.023 -17.941 -7.864
15 HA2 GLY 4 1HA GLY 4 5.148 -17.122 -6.736
16 HA3 GLY 4 2HA GLY 4 4.690 -18.773 -6.346
17 H SER 5 H SER 5 7.779 -17.161 -5.725
18 HA SER 5 HA SER 5 7.329 -17.625 -2.851
19 HB2 SER 5 1HB SER 5 9.757 -17.771 -2.612
20 HB3 SER 5 2HB SER 5 9.198 -18.920 -3.827
21 HG SER 5 HG SER 5 10.324 -17.901 -5.277
22 H SER 6 H SER 6 8.814 -15.384 -5.171
23 HA SER 6 HA SER 6 9.440 -13.363 -3.315
24 HB2 SER 6 1HB SER 6 10.126 -13.697 -5.844
25 HB3 SER 6 2HB SER 6 8.723 -12.668 -6.136
26 HG SER 6 HG SER 6 10.814 -11.580 -5.839
27 H GLY 7 H GLY 7 7.632 -13.114 -1.953
28 HA2 GLY 7 1HA GLY 7 5.528 -12.381 -1.326
29 HA3 GLY 7 2HA GLY 7 5.992 -10.995 -2.302
30 H THR 8 H THR 8 4.334 -14.103 -2.356
31 HA THR 8 HA THR 8 3.411 -14.253 -4.918
32 HB THR 8 HB THR 8 2.883 -15.974 -3.294
33 HG1 THR 8 HG1 THR 8 1.324 -15.220 -5.142
34 HG21 THR 8 3HG2 THR 8 2.499 -14.608 -1.329
35 HG22 THR 8 1HG2 THR 8 1.088 -15.623 -1.626
36 HG23 THR 8 2HG2 THR 8 1.051 -13.914 -2.060
37 H GLY 9 H GLY 9 2.097 -12.251 -2.306
38 HA2 GLY 9 1HA GLY 9 1.025 -10.188 -2.559
39 HA3 GLY 9 2HA GLY 9 0.910 -10.485 -4.287
40 H MET 10 H MET 10 -1.107 -10.666 -4.971
41 HA MET 10 HA MET 10 -3.357 -11.016 -5.001
42 HB2 MET 10 1HB MET 10 -2.368 -13.375 -4.892
43 HB3 MET 10 2HB MET 10 -2.825 -13.367 -3.194
44 HG2 MET 10 1HG MET 10 -4.590 -14.440 -4.251
45 HG3 MET 10 2HG MET 10 -5.173 -12.795 -4.012
46 HE1 MET 10 3HE MET 10 -7.123 -13.140 -6.741
47 HE2 MET 10 1HE MET 10 -6.478 -14.742 -7.102
48 HE3 MET 10 2HE MET 10 -6.758 -14.262 -5.429
49 H LYS 11 H LYS 11 -2.481 -9.198 -3.034
50 HA LYS 11 HA LYS 11 -4.308 -9.739 -0.790
51 HB2 LYS 11 1HB LYS 11 -2.055 -7.728 -0.942
52 HB3 LYS 11 2HB LYS 11 -3.041 -8.080 0.472
53 HG2 LYS 11 1HG LYS 11 -1.152 -9.991 -0.887
54 HG3 LYS 11 2HG LYS 11 -0.864 -9.142 0.633
55 HD2 LYS 11 1HD LYS 11 -3.149 -11.054 0.169
56 HD3 LYS 11 2HD LYS 11 -1.609 -11.512 0.900
57 HE2 LYS 11 1HE LYS 11 -2.041 -9.657 2.586
58 HE3 LYS 11 2HE LYS 11 -3.686 -9.610 1.955
59 HZ1 LYS 11 3HZ LYS 11 -3.174 -12.263 2.446
60 HZ2 LYS 11 1HZ LYS 11 -4.140 -11.232 3.376
61 HZ3 LYS 11 2HZ LYS 11 -2.512 -11.453 3.775
62 HA PRO 12 HA PRO 12 -7.042 -6.548 -2.063
63 HB2 PRO 12 1HB PRO 12 -7.923 -5.632 0.336
64 HB3 PRO 12 2HB PRO 12 -8.407 -7.195 -0.332
65 HG2 PRO 12 1HG PRO 12 -6.318 -6.577 1.721
66 HG3 PRO 12 2HG PRO 12 -7.519 -7.882 1.704
67 HD2 PRO 12 1HD PRO 12 -4.934 -8.273 1.000
68 HD3 PRO 12 2HD PRO 12 -6.272 -9.183 0.268
69 H TYR 13 H TYR 13 -6.305 -4.943 0.921
70 HA TYR 13 HA TYR 13 -5.121 -2.726 -0.602
71 HB2 TYR 13 1HB TYR 13 -6.024 -2.360 2.212
72 HB3 TYR 13 2HB TYR 13 -6.102 -1.244 0.852
73 HD1 TYR 13 HD2 TYR 13 -7.659 -4.316 2.248
74 HD2 TYR 13 HD1 TYR 13 -8.089 -0.987 -0.367
75 HE1 TYR 13 HE2 TYR 13 -10.032 -4.880 1.930
76 HE2 TYR 13 HE1 TYR 13 -10.463 -1.541 -0.691
77 HH TYR 13 HH TYR 13 -12.031 -4.067 1.172
78 H VAL 14 H VAL 14 -3.917 -5.255 0.766
79 HA VAL 14 HA VAL 14 -2.165 -4.197 2.771
80 HB VAL 14 HB VAL 14 -1.772 -6.775 1.261
81 HG11 VAL 14 1HG1 VAL 14 -0.461 -7.461 3.049
82 HG12 VAL 14 2HG1 VAL 14 -0.030 -5.758 2.880
83 HG13 VAL 14 3HG1 VAL 14 -1.151 -6.264 4.145
84 HG21 VAL 14 3HG2 VAL 14 -4.105 -6.567 2.122
85 HG22 VAL 14 1HG2 VAL 14 -3.187 -7.890 2.840
86 HG23 VAL 14 2HG2 VAL 14 -3.438 -6.398 3.746
87 H CYS 15 H CYS 15 -0.037 -3.618 2.610
88 HA CYS 15 HA CYS 15 0.869 -2.571 0.148
89 HB2 CYS 15 1HB CYS 15 1.494 -2.003 2.662
90 HB3 CYS 15 2HB CYS 15 2.800 -3.143 2.351
91 H ASN 16 H ASN 16 1.788 -3.572 -1.506
92 HA ASN 16 HA ASN 16 2.652 -6.320 -1.252
93 HB2 ASN 16 1HB ASN 16 1.387 -5.106 -3.244
94 HB3 ASN 16 2HB ASN 16 3.033 -4.770 -3.774
95 HD21 ASN 16 1HD2 ASN 16 4.280 -6.396 -4.570
96 HD22 ASN 16 2HD2 ASN 16 3.693 -7.995 -4.859
97 H GLU 17 H GLU 17 4.165 -4.031 -0.009
98 HA GLU 17 HA GLU 17 6.780 -4.646 -1.217
99 HB2 GLU 17 1HB GLU 17 5.985 -2.035 0.083
100 HB3 GLU 17 2HB GLU 17 7.545 -2.407 -0.637
101 HG2 GLU 17 1HG GLU 17 5.128 -2.662 -2.338
102 HG3 GLU 17 2HG GLU 17 5.699 -1.044 -1.932
103 H CYS 18 H CYS 18 5.100 -3.646 1.745
104 HA CYS 18 HA CYS 18 7.253 -4.914 3.305
105 HB2 CYS 18 1HB CYS 18 6.472 -3.480 5.192
106 HB3 CYS 18 2HB CYS 18 7.093 -2.564 3.824
107 H GLY 19 H GLY 19 3.791 -4.680 2.807
108 HA2 GLY 19 1HA GLY 19 2.449 -6.672 3.105
109 HA3 GLY 19 2HA GLY 19 3.475 -7.097 4.467
110 H LYS 20 H LYS 20 2.609 -3.797 4.250
111 HA LYS 20 HA LYS 20 1.216 -3.883 6.731
112 HB2 LYS 20 1HB LYS 20 2.579 -1.951 5.498
113 HB3 LYS 20 2HB LYS 20 0.969 -1.515 4.942
114 HG2 LYS 20 1HG LYS 20 1.834 -1.795 7.813
115 HG3 LYS 20 2HG LYS 20 1.570 -0.281 6.944
116 HD2 LYS 20 1HD LYS 20 -0.804 -1.246 6.513
117 HD3 LYS 20 2HD LYS 20 -0.427 -2.310 7.870
118 HE2 LYS 20 1HE LYS 20 0.217 -0.149 9.109
119 HE3 LYS 20 2HE LYS 20 -0.665 0.680 7.827
120 HZ1 LYS 20 3HZ LYS 20 -2.619 -0.664 8.394
121 HZ2 LYS 20 1HZ LYS 20 -2.104 0.284 9.697
122 HZ3 LYS 20 2HZ LYS 20 -1.765 -1.372 9.671
123 H ALA 21 H ALA 21 -0.782 -4.630 6.959
124 HA ALA 21 HA ALA 21 -2.652 -4.551 4.733
125 HB1 ALA 21 3HB ALA 21 -2.441 -6.042 7.270
126 HB2 ALA 21 1HB ALA 21 -4.074 -5.691 6.703
127 HB3 ALA 21 2HB ALA 21 -2.954 -6.583 5.672
128 H PHE 22 H PHE 22 -4.414 -3.273 4.594
129 HA PHE 22 HA PHE 22 -5.007 -1.509 6.877
130 HB2 PHE 22 1HB PHE 22 -5.159 -0.718 3.962
131 HB3 PHE 22 2HB PHE 22 -5.431 0.325 5.355
132 HD1 PHE 22 HD1 PHE 22 -2.848 -1.687 3.620
133 HD2 PHE 22 HD2 PHE 22 -3.660 1.471 6.356
134 HE1 PHE 22 HE1 PHE 22 -0.463 -1.082 3.624
135 HE2 PHE 22 HE2 PHE 22 -1.277 2.082 6.363
136 HZ PHE 22 HZ PHE 22 0.325 0.805 4.995
137 H ARG 23 H ARG 23 -7.229 -0.308 6.268
138 HA ARG 23 HA ARG 23 -9.149 -2.485 5.955
139 HB2 ARG 23 1HB ARG 23 -9.575 0.374 6.844
140 HB3 ARG 23 2HB ARG 23 -10.785 -0.902 6.869
141 HG2 ARG 23 1HG ARG 23 -9.157 -2.154 8.400
142 HG3 ARG 23 2HG ARG 23 -8.347 -0.596 8.580
143 HD2 ARG 23 1HD ARG 23 -9.890 -0.836 10.388
144 HD3 ARG 23 2HD ARG 23 -10.534 0.376 9.281
145 HE ARG 23 HE ARG 23 -11.499 -2.319 8.864
146 HH11 ARG 23 1HH1 ARG 23 -12.011 0.754 10.417
147 HH12 ARG 23 2HH1 ARG 23 -13.712 0.507 10.636
148 HH21 ARG 23 1HH2 ARG 23 -13.737 -2.656 9.147
149 HH22 ARG 23 2HH2 ARG 23 -14.693 -1.433 9.914
150 H SER 24 H SER 24 -8.207 0.554 4.470
151 HA SER 24 HA SER 24 -9.861 -0.135 2.147
152 HB2 SER 24 1HB SER 24 -10.467 2.286 1.904
153 HB3 SER 24 2HB SER 24 -11.177 1.514 3.321
154 HG SER 24 HG SER 24 -9.173 2.390 4.403
155 H LYS 25 H LYS 25 -9.152 0.835 0.157
156 HA LYS 25 HA LYS 25 -6.399 0.729 -0.249
157 HB2 LYS 25 1HB LYS 25 -8.238 0.501 -1.981
158 HB3 LYS 25 2HB LYS 25 -8.332 2.257 -1.992
159 HG2 LYS 25 1HG LYS 25 -5.773 2.110 -2.466
160 HG3 LYS 25 2HG LYS 25 -6.163 0.469 -2.985
161 HD2 LYS 25 1HD LYS 25 -7.629 2.891 -4.006
162 HD3 LYS 25 2HD LYS 25 -6.179 2.255 -4.785
163 HE2 LYS 25 1HE LYS 25 -8.654 0.622 -4.251
164 HE3 LYS 25 2HE LYS 25 -8.343 1.462 -5.769
165 HZ1 LYS 25 3HZ LYS 25 -6.760 -0.746 -4.580
166 HZ2 LYS 25 1HZ LYS 25 -6.238 0.165 -5.907
167 HZ3 LYS 25 2HZ LYS 25 -7.641 -0.773 -6.024
168 H SER 26 H SER 26 -8.525 3.543 0.138
169 HA SER 26 HA SER 26 -6.664 5.554 -0.324
170 HB2 SER 26 1HB SER 26 -8.142 6.998 1.040
171 HB3 SER 26 2HB SER 26 -9.054 6.013 -0.103
172 HG SER 26 HG SER 26 -9.480 6.171 2.437
173 H TYR 27 H TYR 27 -7.025 3.439 2.385
174 HA TYR 27 HA TYR 27 -5.464 5.057 4.191
175 HB2 TYR 27 1HB TYR 27 -7.310 3.209 4.679
176 HB3 TYR 27 2HB TYR 27 -5.906 2.148 4.681
177 HD1 TYR 27 HD2 TYR 27 -6.248 5.648 5.917
178 HD2 TYR 27 HD1 TYR 27 -5.576 1.566 6.909
179 HE1 TYR 27 HE2 TYR 27 -5.766 6.298 8.239
180 HE2 TYR 27 HE1 TYR 27 -5.094 2.204 9.235
181 HH TYR 27 HH TYR 27 -5.364 5.573 10.308
182 H LEU 28 H LEU 28 -4.926 2.390 1.992
183 HA LEU 28 HA LEU 28 -2.257 1.860 2.940
184 HB2 LEU 28 1HB LEU 28 -3.297 -0.021 2.059
185 HB3 LEU 28 2HB LEU 28 -3.945 0.865 0.680
186 HG LEU 28 HG LEU 28 -1.532 1.045 -0.128
187 HD11 LEU 28 1HD1 LEU 28 -1.109 -1.273 1.740
188 HD12 LEU 28 2HD1 LEU 28 -0.600 0.373 2.119
189 HD13 LEU 28 3HD1 LEU 28 0.078 -0.460 0.720
190 HD21 LEU 28 3HD2 LEU 28 -2.393 -0.453 -1.526
191 HD22 LEU 28 1HD2 LEU 28 -3.438 -1.114 -0.268
192 HD23 LEU 28 2HD2 LEU 28 -1.790 -1.714 -0.449
193 H ILE 29 H ILE 29 -3.738 3.560 0.224
194 HA ILE 29 HA ILE 29 -1.453 4.094 -1.275
195 HB ILE 29 HB ILE 29 -3.941 5.768 -0.926
196 HG12 ILE 29 1HG1 ILE 29 -3.239 4.169 -3.359
197 HG13 ILE 29 2HG1 ILE 29 -3.911 3.347 -1.954
198 HG21 ILE 29 1HG2 ILE 29 -1.614 6.066 -2.801
199 HG22 ILE 29 2HG2 ILE 29 -3.205 6.734 -3.161
200 HG23 ILE 29 3HG2 ILE 29 -2.326 7.273 -1.731
201 HD11 ILE 29 3HD1 ILE 29 -5.689 3.856 -3.450
202 HD12 ILE 29 1HD1 ILE 29 -5.837 4.918 -2.050
203 HD13 ILE 29 2HD1 ILE 29 -5.184 5.541 -3.565
204 H ILE 30 H ILE 30 -2.897 5.948 1.385
205 HA ILE 30 HA ILE 30 -1.072 8.093 1.316
206 HB ILE 30 HB ILE 30 -1.826 8.607 3.589
207 HG12 ILE 30 1HG1 ILE 30 -3.643 6.229 3.558
208 HG13 ILE 30 2HG1 ILE 30 -1.979 6.023 4.095
209 HG21 ILE 30 1HG2 ILE 30 -4.432 7.917 2.584
210 HG22 ILE 30 2HG2 ILE 30 -3.657 9.496 2.701
211 HG23 ILE 30 3HG2 ILE 30 -3.393 8.488 1.278
212 HD11 ILE 30 3HD1 ILE 30 -3.232 8.312 5.338
213 HD12 ILE 30 1HD1 ILE 30 -4.128 6.822 5.631
214 HD13 ILE 30 2HD1 ILE 30 -2.423 6.926 6.069
215 H HIS 31 H HIS 31 -0.689 4.867 2.304
216 HA HIS 31 HA HIS 31 1.534 5.468 4.099
217 HB2 HIS 31 1HB HIS 31 0.361 3.730 5.049
218 HB3 HIS 31 2HB HIS 31 -0.098 3.046 3.492
219 HD1 HIS 31 HD1 HIS 31 1.980 2.338 6.272
220 HD2 HIS 31 HD2 HIS 31 2.393 1.917 2.160
221 HE1 HIS 31 HE1 HIS 31 3.809 0.642 5.950
222 H THR 32 H THR 32 0.906 3.672 1.098
223 HA THR 32 HA THR 32 3.347 2.664 0.486
224 HB THR 32 HB THR 32 1.579 4.108 -1.498
225 HG1 THR 32 HG1 THR 32 1.019 1.672 -1.752
226 HG21 THR 32 3HG2 THR 32 3.551 1.859 -1.915
227 HG22 THR 32 1HG2 THR 32 3.837 3.547 -2.337
228 HG23 THR 32 2HG2 THR 32 2.567 2.637 -3.154
229 H ARG 33 H ARG 33 2.317 6.023 -0.001
230 HA ARG 33 HA ARG 33 4.522 7.011 -1.340
231 HB2 ARG 33 1HB ARG 33 3.965 9.202 -0.202
232 HB3 ARG 33 2HB ARG 33 2.643 8.431 -1.069
233 HG2 ARG 33 1HG ARG 33 1.865 7.496 1.114
234 HG3 ARG 33 2HG ARG 33 3.090 8.490 1.904
235 HD2 ARG 33 1HD ARG 33 0.831 9.522 1.875
236 HD3 ARG 33 2HD ARG 33 2.069 10.501 1.088
237 HE ARG 33 HE ARG 33 -0.189 9.188 -0.175
238 HH11 ARG 33 1HH1 ARG 33 2.857 10.826 -0.576
239 HH12 ARG 33 2HH1 ARG 33 2.556 11.259 -2.226
240 HH21 ARG 33 1HH2 ARG 33 -0.597 9.753 -2.347
241 HH22 ARG 33 2HH2 ARG 33 0.590 10.649 -3.232
242 H THR 34 H THR 34 4.102 6.406 2.104
243 HA THR 34 HA THR 34 6.294 7.707 3.155
244 HB THR 34 HB THR 34 6.212 6.214 5.015
245 HG1 THR 34 HG1 THR 34 5.248 4.422 3.099
246 HG21 THR 34 3HG2 THR 34 4.248 7.102 5.570
247 HG22 THR 34 1HG2 THR 34 3.430 5.812 4.689
248 HG23 THR 34 2HG2 THR 34 3.840 7.319 3.868
249 H HIS 35 H HIS 35 6.246 5.055 1.002
250 HA HIS 35 HA HIS 35 8.857 4.045 1.703
251 HB2 HIS 35 1HB HIS 35 6.936 3.451 -0.544
252 HB3 HIS 35 2HB HIS 35 8.541 2.731 -0.467
253 HD1 HIS 35 HD1 HIS 35 8.878 0.794 1.128
254 HD2 HIS 35 HD2 HIS 35 5.155 2.597 1.520
255 HE1 HIS 35 HE1 HIS 35 7.549 -0.727 2.628
256 H THR 36 H THR 36 8.251 6.898 0.675
257 HA THR 36 HA THR 36 9.954 6.971 -1.694
258 HB THR 36 HB THR 36 8.324 9.094 -0.300
259 HG1 THR 36 HG1 THR 36 6.939 8.675 -1.853
260 HG21 THR 36 3HG2 THR 36 10.479 10.020 -1.151
261 HG22 THR 36 1HG2 THR 36 9.055 10.682 -1.953
262 HG23 THR 36 2HG2 THR 36 10.033 9.457 -2.761
263 H GLY 37 H GLY 37 9.913 8.086 1.660
264 HA2 GLY 37 1HA GLY 37 12.600 7.883 2.153
265 HA3 GLY 37 2HA GLY 37 12.407 9.486 1.460
266 H GLU 38 H GLU 38 10.009 7.900 3.477
267 HA GLU 38 HA GLU 38 10.633 9.813 5.629
268 HB2 GLU 38 1HB GLU 38 8.478 10.135 4.120
269 HB3 GLU 38 2HB GLU 38 7.822 8.912 5.200
270 HG2 GLU 38 1HG GLU 38 8.733 10.481 7.070
271 HG3 GLU 38 2HG GLU 38 8.687 11.699 5.797
272 H SER 39 H SER 39 11.688 7.256 5.584
273 HA SER 39 HA SER 39 10.150 5.926 7.719
274 HB2 SER 39 1HB SER 39 11.742 4.706 5.462
275 HB3 SER 39 2HB SER 39 11.274 3.792 6.896
276 HG SER 39 HG SER 39 9.097 4.257 6.388
277 H GLY 40 H GLY 40 11.227 6.790 9.451
278 HA2 GLY 40 1HA GLY 40 14.146 6.360 9.544
279 HA3 GLY 40 2HA GLY 40 13.290 7.591 10.460
280 HA PRO 41 HA PRO 41 12.489 3.245 12.503
281 HB2 PRO 41 1HB PRO 41 14.401 1.395 11.962
282 HB3 PRO 41 2HB PRO 41 12.924 1.558 11.005
283 HG2 PRO 41 1HG PRO 41 15.674 2.595 10.435
284 HG3 PRO 41 2HG PRO 41 14.520 1.819 9.334
285 HD2 PRO 41 1HD PRO 41 14.875 4.502 9.417
286 HD3 PRO 41 2HD PRO 41 13.310 3.757 9.034
287 H SER 42 H SER 42 13.865 1.942 14.162
288 HA SER 42 HA SER 42 15.051 3.631 15.944
289 HB2 SER 42 1HB SER 42 14.433 1.378 16.580
290 HB3 SER 42 2HB SER 42 15.649 0.697 15.499
291 HG SER 42 HG SER 42 16.292 0.813 17.740
292 H SER 43 H SER 43 16.957 4.625 16.183
293 HA SER 43 HA SER 43 19.079 3.989 14.240
294 HB2 SER 43 1HB SER 43 18.493 6.622 15.618
295 HB3 SER 43 2HB SER 43 19.811 6.332 14.483
296 HG SER 43 HG SER 43 17.835 7.285 13.591
297 H GLY 44 H GLY 44 18.901 2.493 16.573
298 HA2 GLY 44 1HA GLY 44 20.082 1.853 18.442
299 HA3 GLY 44 2HA GLY 44 21.460 2.498 17.562
Start of MODEL 6
1 H1 GLY 1 H GLY 1 13.600 -14.700 -21.630
2 HA2 GLY 1 1HA GLY 1 11.036 -15.428 -21.580
3 HA3 GLY 1 2HA GLY 1 11.915 -15.144 -20.084
4 H SER 2 H SER 2 9.290 -14.817 -19.930
5 HA SER 2 HA SER 2 8.911 -11.894 -19.987
6 HB2 SER 2 1HB SER 2 7.009 -14.127 -20.625
7 HB3 SER 2 2HB SER 2 6.390 -12.590 -20.020
8 HG SER 2 HG SER 2 6.546 -12.764 -22.355
9 H SER 3 H SER 3 7.271 -11.140 -18.352
10 HA SER 3 HA SER 3 8.004 -12.216 -15.772
11 HB2 SER 3 1HB SER 3 7.971 -9.829 -15.934
12 HB3 SER 3 2HB SER 3 6.342 -9.834 -16.610
13 HG SER 3 HG SER 3 5.758 -9.587 -14.607
14 H GLY 4 H GLY 4 6.974 -14.246 -15.765
15 HA2 GLY 4 1HA GLY 4 4.035 -14.094 -15.487
16 HA3 GLY 4 2HA GLY 4 4.847 -15.462 -16.233
17 H SER 5 H SER 5 3.251 -16.239 -14.363
18 HA SER 5 HA SER 5 2.980 -17.144 -12.276
19 HB2 SER 5 1HB SER 5 4.853 -18.595 -11.586
20 HB3 SER 5 2HB SER 5 4.520 -18.746 -13.311
21 HG SER 5 HG SER 5 6.805 -18.468 -12.583
22 H SER 6 H SER 6 3.410 -14.406 -12.109
23 HA SER 6 HA SER 6 5.100 -14.164 -9.707
24 HB2 SER 6 1HB SER 6 5.827 -12.806 -11.686
25 HB3 SER 6 2HB SER 6 4.296 -11.936 -11.590
26 HG SER 6 HG SER 6 6.432 -11.267 -10.366
27 H GLY 7 H GLY 7 2.503 -15.149 -9.490
28 HA2 GLY 7 1HA GLY 7 0.681 -14.850 -8.116
29 HA3 GLY 7 2HA GLY 7 1.414 -13.348 -7.574
30 H THR 8 H THR 8 -1.360 -13.751 -8.025
31 HA THR 8 HA THR 8 -1.782 -11.766 -10.152
32 HB THR 8 HB THR 8 -3.624 -14.116 -9.683
33 HG1 THR 8 HG1 THR 8 -2.769 -14.650 -11.884
34 HG21 THR 8 3HG2 THR 8 -4.558 -13.355 -11.890
35 HG22 THR 8 1HG2 THR 8 -3.573 -11.901 -11.730
36 HG23 THR 8 2HG2 THR 8 -4.834 -12.247 -10.546
37 H GLY 9 H GLY 9 -1.911 -10.194 -8.481
38 HA2 GLY 9 1HA GLY 9 -2.878 -9.095 -6.669
39 HA3 GLY 9 2HA GLY 9 -4.284 -9.252 -7.711
40 H MET 10 H MET 10 -2.594 -10.562 -4.944
41 HA MET 10 HA MET 10 -4.923 -12.250 -4.334
42 HB2 MET 10 1HB MET 10 -2.030 -12.391 -3.567
43 HB3 MET 10 2HB MET 10 -3.241 -13.155 -2.546
44 HG2 MET 10 1HG MET 10 -2.711 -13.741 -5.449
45 HG3 MET 10 2HG MET 10 -2.303 -14.763 -4.073
46 HE1 MET 10 3HE MET 10 -4.059 -14.350 -6.825
47 HE2 MET 10 1HE MET 10 -4.891 -15.899 -6.681
48 HE3 MET 10 2HE MET 10 -5.806 -14.394 -6.588
49 H LYS 11 H LYS 11 -2.706 -9.879 -2.911
50 HA LYS 11 HA LYS 11 -4.267 -9.672 -0.491
51 HB2 LYS 11 1HB LYS 11 -1.737 -8.502 -1.523
52 HB3 LYS 11 2HB LYS 11 -2.611 -7.571 -0.314
53 HG2 LYS 11 1HG LYS 11 -1.181 -8.825 0.978
54 HG3 LYS 11 2HG LYS 11 -2.651 -9.802 1.008
55 HD2 LYS 11 1HD LYS 11 -0.925 -11.335 0.587
56 HD3 LYS 11 2HD LYS 11 -1.655 -11.042 -0.994
57 HE2 LYS 11 1HE LYS 11 0.541 -10.813 -1.555
58 HE3 LYS 11 2HE LYS 11 0.196 -9.150 -1.084
59 HZ1 LYS 11 3HZ LYS 11 2.274 -10.139 -0.132
60 HZ2 LYS 11 1HZ LYS 11 1.294 -11.159 0.797
61 HZ3 LYS 11 2HZ LYS 11 1.207 -9.483 1.006
62 HA PRO 12 HA PRO 12 -7.080 -6.594 -1.922
63 HB2 PRO 12 1HB PRO 12 -7.845 -5.600 0.485
64 HB3 PRO 12 2HB PRO 12 -8.383 -7.171 -0.120
65 HG2 PRO 12 1HG PRO 12 -6.200 -6.538 1.828
66 HG3 PRO 12 2HG PRO 12 -7.423 -7.821 1.895
67 HD2 PRO 12 1HD PRO 12 -4.877 -8.277 1.096
68 HD3 PRO 12 2HD PRO 12 -6.258 -9.181 0.444
69 H TYR 13 H TYR 13 -6.184 -4.930 0.987
70 HA TYR 13 HA TYR 13 -4.980 -2.796 -0.643
71 HB2 TYR 13 1HB TYR 13 -5.873 -2.253 2.140
72 HB3 TYR 13 2HB TYR 13 -5.953 -1.227 0.712
73 HD1 TYR 13 HD2 TYR 13 -7.522 -4.200 2.299
74 HD2 TYR 13 HD1 TYR 13 -7.954 -1.011 -0.484
75 HE1 TYR 13 HE2 TYR 13 -9.904 -4.756 2.041
76 HE2 TYR 13 HE1 TYR 13 -10.338 -1.557 -0.749
77 HH TYR 13 HH TYR 13 -12.016 -2.848 -0.085
78 H VAL 14 H VAL 14 -3.753 -5.256 0.690
79 HA VAL 14 HA VAL 14 -2.051 -4.231 2.755
80 HB VAL 14 HB VAL 14 -1.578 -6.744 1.161
81 HG11 VAL 14 1HG1 VAL 14 -0.199 -7.416 2.859
82 HG12 VAL 14 2HG1 VAL 14 0.057 -5.671 2.930
83 HG13 VAL 14 3HG1 VAL 14 -1.039 -6.450 4.072
84 HG21 VAL 14 3HG2 VAL 14 -3.954 -6.320 2.271
85 HG22 VAL 14 1HG2 VAL 14 -3.171 -7.900 2.308
86 HG23 VAL 14 2HG2 VAL 14 -3.087 -6.841 3.716
87 H CYS 15 H CYS 15 0.139 -3.753 2.653
88 HA CYS 15 HA CYS 15 1.035 -2.645 0.161
89 HB2 CYS 15 1HB CYS 15 1.470 -1.876 2.661
90 HB3 CYS 15 2HB CYS 15 2.867 -2.936 2.500
91 H ASN 16 H ASN 16 1.744 -3.963 -1.389
92 HA ASN 16 HA ASN 16 2.850 -6.527 -0.927
93 HB2 ASN 16 1HB ASN 16 2.739 -4.742 -3.355
94 HB3 ASN 16 2HB ASN 16 3.519 -6.321 -3.392
95 HD21 ASN 16 1HD2 ASN 16 0.498 -4.625 -2.999
96 HD22 ASN 16 2HD2 ASN 16 -0.528 -5.981 -3.301
97 H GLU 17 H GLU 17 4.164 -3.547 -0.394
98 HA GLU 17 HA GLU 17 6.878 -4.232 -1.197
99 HB2 GLU 17 1HB GLU 17 5.804 -1.770 0.191
100 HB3 GLU 17 2HB GLU 17 7.452 -1.978 -0.385
101 HG2 GLU 17 1HG GLU 17 5.153 -2.244 -2.272
102 HG3 GLU 17 2HG GLU 17 5.756 -0.652 -1.813
103 H CYS 18 H CYS 18 5.168 -3.356 1.803
104 HA CYS 18 HA CYS 18 7.316 -4.685 3.317
105 HB2 CYS 18 1HB CYS 18 6.508 -3.332 5.255
106 HB3 CYS 18 2HB CYS 18 7.130 -2.360 3.926
107 H GLY 19 H GLY 19 3.870 -4.520 2.759
108 HA2 GLY 19 1HA GLY 19 2.567 -6.543 2.996
109 HA3 GLY 19 2HA GLY 19 3.571 -6.969 4.374
110 H LYS 20 H LYS 20 2.697 -3.687 4.264
111 HA LYS 20 HA LYS 20 1.245 -3.839 6.689
112 HB2 LYS 20 1HB LYS 20 2.569 -1.857 5.575
113 HB3 LYS 20 2HB LYS 20 1.007 -1.483 4.859
114 HG2 LYS 20 1HG LYS 20 1.176 -0.178 6.813
115 HG3 LYS 20 2HG LYS 20 0.063 -1.494 7.194
116 HD2 LYS 20 1HD LYS 20 1.732 -2.659 8.425
117 HD3 LYS 20 2HD LYS 20 3.003 -1.582 7.841
118 HE2 LYS 20 1HE LYS 20 2.158 0.237 9.119
119 HE3 LYS 20 2HE LYS 20 0.681 -0.641 9.510
120 HZ1 LYS 20 3HZ LYS 20 2.388 -2.310 10.550
121 HZ2 LYS 20 1HZ LYS 20 1.868 -0.950 11.413
122 HZ3 LYS 20 2HZ LYS 20 3.370 -0.934 10.634
123 H ALA 21 H ALA 21 -0.728 -4.658 6.888
124 HA ALA 21 HA ALA 21 -2.582 -4.602 4.644
125 HB1 ALA 21 3HB ALA 21 -4.006 -5.994 6.197
126 HB2 ALA 21 1HB ALA 21 -2.461 -6.702 5.722
127 HB3 ALA 21 2HB ALA 21 -2.646 -5.975 7.319
128 H PHE 22 H PHE 22 -4.245 -3.241 4.461
129 HA PHE 22 HA PHE 22 -4.973 -1.617 6.810
130 HB2 PHE 22 1HB PHE 22 -5.038 -0.767 3.907
131 HB3 PHE 22 2HB PHE 22 -5.472 0.232 5.290
132 HD1 PHE 22 HD1 PHE 22 -2.699 -1.385 3.505
133 HD2 PHE 22 HD2 PHE 22 -3.805 1.272 6.641
134 HE1 PHE 22 HE1 PHE 22 -0.364 -0.631 3.685
135 HE2 PHE 22 HE2 PHE 22 -1.472 2.031 6.825
136 HZ PHE 22 HZ PHE 22 0.252 1.079 5.346
137 H ARG 23 H ARG 23 -7.219 -0.522 6.363
138 HA ARG 23 HA ARG 23 -9.069 -2.717 5.882
139 HB2 ARG 23 1HB ARG 23 -9.275 -1.306 7.917
140 HB3 ARG 23 2HB ARG 23 -9.622 0.079 6.890
141 HG2 ARG 23 1HG ARG 23 -11.557 -1.357 5.981
142 HG3 ARG 23 2HG ARG 23 -11.303 -2.334 7.429
143 HD2 ARG 23 1HD ARG 23 -11.721 0.646 7.498
144 HD3 ARG 23 2HD ARG 23 -13.042 -0.516 7.616
145 HE ARG 23 HE ARG 23 -11.142 0.162 9.661
146 HH11 ARG 23 1HH1 ARG 23 -13.322 -2.283 8.479
147 HH12 ARG 23 2HH1 ARG 23 -13.525 -3.035 10.027
148 HH21 ARG 23 1HH2 ARG 23 -11.402 -0.819 11.704
149 HH22 ARG 23 2HH2 ARG 23 -12.434 -2.201 11.860
150 H SER 24 H SER 24 -8.216 0.419 4.556
151 HA SER 24 HA SER 24 -10.010 -0.128 2.285
152 HB2 SER 24 1HB SER 24 -9.382 2.602 3.435
153 HB3 SER 24 2HB SER 24 -10.447 2.263 2.071
154 HG SER 24 HG SER 24 -11.981 1.789 3.422
155 H LYS 25 H LYS 25 -9.351 1.158 0.304
156 HA LYS 25 HA LYS 25 -6.636 0.552 -0.306
157 HB2 LYS 25 1HB LYS 25 -8.318 0.359 -2.027
158 HB3 LYS 25 2HB LYS 25 -8.756 2.052 -1.850
159 HG2 LYS 25 1HG LYS 25 -6.390 2.599 -2.559
160 HG3 LYS 25 2HG LYS 25 -6.239 0.900 -3.010
161 HD2 LYS 25 1HD LYS 25 -6.886 1.903 -5.001
162 HD3 LYS 25 2HD LYS 25 -8.416 1.312 -4.350
163 HE2 LYS 25 1HE LYS 25 -7.530 4.070 -3.655
164 HE3 LYS 25 2HE LYS 25 -8.173 3.771 -5.269
165 HZ1 LYS 25 3HZ LYS 25 -9.546 3.908 -2.751
166 HZ2 LYS 25 1HZ LYS 25 -9.959 2.536 -3.651
167 HZ3 LYS 25 2HZ LYS 25 -10.151 4.076 -4.322
168 H SER 26 H SER 26 -8.428 3.570 0.190
169 HA SER 26 HA SER 26 -6.433 5.388 -0.447
170 HB2 SER 26 1HB SER 26 -8.871 5.862 0.144
171 HB3 SER 26 2HB SER 26 -8.371 5.787 1.834
172 HG SER 26 HG SER 26 -8.347 7.928 0.936
173 H TYR 27 H TYR 27 -6.884 3.474 2.446
174 HA TYR 27 HA TYR 27 -5.042 4.870 4.088
175 HB2 TYR 27 1HB TYR 27 -6.437 2.245 4.191
176 HB3 TYR 27 2HB TYR 27 -5.008 2.439 5.201
177 HD1 TYR 27 HD1 TYR 27 -5.137 5.128 6.182
178 HD2 TYR 27 HD2 TYR 27 -8.324 2.390 5.512
179 HE1 TYR 27 HE1 TYR 27 -6.488 6.295 7.874
180 HE2 TYR 27 HE2 TYR 27 -9.684 3.550 7.201
181 HH TYR 27 HH TYR 27 -9.858 5.524 8.386
182 H LEU 28 H LEU 28 -4.726 2.293 1.741
183 HA LEU 28 HA LEU 28 -2.013 1.660 2.449
184 HB2 LEU 28 1HB LEU 28 -3.175 -0.127 1.514
185 HB3 LEU 28 2HB LEU 28 -3.864 0.869 0.235
186 HG LEU 28 HG LEU 28 -1.538 1.019 -0.737
187 HD11 LEU 28 1HD1 LEU 28 -0.300 0.389 1.269
188 HD12 LEU 28 2HD1 LEU 28 0.058 -0.701 -0.071
189 HD13 LEU 28 3HD1 LEU 28 -1.027 -1.217 1.220
190 HD21 LEU 28 3HD2 LEU 28 -1.821 -1.742 -1.080
191 HD22 LEU 28 1HD2 LEU 28 -2.474 -0.462 -2.102
192 HD23 LEU 28 2HD2 LEU 28 -3.451 -1.129 -0.794
193 H ILE 29 H ILE 29 -3.627 3.732 0.133
194 HA ILE 29 HA ILE 29 -1.346 4.289 -1.467
195 HB ILE 29 HB ILE 29 -3.883 5.879 -1.075
196 HG12 ILE 29 1HG1 ILE 29 -3.202 4.336 -3.542
197 HG13 ILE 29 2HG1 ILE 29 -3.788 3.458 -2.134
198 HG21 ILE 29 1HG2 ILE 29 -1.457 6.657 -2.293
199 HG22 ILE 29 2HG2 ILE 29 -2.619 6.360 -3.584
200 HG23 ILE 29 3HG2 ILE 29 -3.003 7.506 -2.300
201 HD11 ILE 29 3HD1 ILE 29 -5.855 4.561 -2.176
202 HD12 ILE 29 1HD1 ILE 29 -5.264 5.800 -3.283
203 HD13 ILE 29 2HD1 ILE 29 -5.505 4.149 -3.855
204 H ILE 30 H ILE 30 -2.868 5.960 1.266
205 HA ILE 30 HA ILE 30 -1.107 8.176 1.276
206 HB ILE 30 HB ILE 30 -1.922 8.564 3.585
207 HG12 ILE 30 1HG1 ILE 30 -3.971 6.924 4.081
208 HG13 ILE 30 2HG1 ILE 30 -2.961 5.803 3.176
209 HG21 ILE 30 1HG2 ILE 30 -3.544 8.360 1.184
210 HG22 ILE 30 2HG2 ILE 30 -4.504 8.273 2.660
211 HG23 ILE 30 3HG2 ILE 30 -3.446 9.655 2.377
212 HD11 ILE 30 3HD1 ILE 30 -1.594 7.318 5.291
213 HD12 ILE 30 1HD1 ILE 30 -2.810 6.162 5.833
214 HD13 ILE 30 2HD1 ILE 30 -1.461 5.619 4.836
215 H HIS 31 H HIS 31 -0.720 4.936 2.261
216 HA HIS 31 HA HIS 31 1.463 5.559 4.098
217 HB2 HIS 31 1HB HIS 31 0.289 3.821 5.041
218 HB3 HIS 31 2HB HIS 31 -0.153 3.131 3.482
219 HD1 HIS 31 HD1 HIS 31 2.321 2.881 6.191
220 HD2 HIS 31 HD2 HIS 31 1.923 1.545 2.277
221 HE1 HIS 31 HE1 HIS 31 4.044 1.069 5.921
222 H THR 32 H THR 32 0.950 3.514 1.221
223 HA THR 32 HA THR 32 3.478 2.679 0.691
224 HB THR 32 HB THR 32 1.521 3.703 -1.376
225 HG1 THR 32 HG1 THR 32 0.460 2.053 -0.507
226 HG21 THR 32 3HG2 THR 32 3.892 3.374 -2.157
227 HG22 THR 32 1HG2 THR 32 2.692 2.378 -2.979
228 HG23 THR 32 2HG2 THR 32 3.721 1.671 -1.733
229 H ARG 33 H ARG 33 2.282 5.925 0.467
230 HA ARG 33 HA ARG 33 4.282 6.994 -1.224
231 HB2 ARG 33 1HB ARG 33 3.606 9.187 -0.080
232 HB3 ARG 33 2HB ARG 33 2.364 8.321 -0.974
233 HG2 ARG 33 1HG ARG 33 1.299 7.598 0.974
234 HG3 ARG 33 2HG ARG 33 2.706 7.954 1.979
235 HD2 ARG 33 1HD ARG 33 1.214 10.103 0.503
236 HD3 ARG 33 2HD ARG 33 0.724 9.561 2.107
237 HE ARG 33 HE ARG 33 3.022 11.171 1.439
238 HH11 ARG 33 1HH1 ARG 33 1.545 9.074 3.794
239 HH12 ARG 33 2HH1 ARG 33 2.467 9.699 5.121
240 HH21 ARG 33 1HH2 ARG 33 4.241 12.002 3.179
241 HH22 ARG 33 2HH2 ARG 33 3.999 11.366 4.770
242 H THR 34 H THR 34 4.033 6.631 2.281
243 HA THR 34 HA THR 34 6.185 8.120 3.130
244 HB THR 34 HB THR 34 4.529 6.780 4.550
245 HG1 THR 34 HG1 THR 34 6.061 6.687 6.243
246 HG21 THR 34 3HG2 THR 34 5.357 4.607 3.335
247 HG22 THR 34 1HG2 THR 34 4.906 4.558 5.038
248 HG23 THR 34 2HG2 THR 34 6.607 4.635 4.578
249 H HIS 35 H HIS 35 6.175 4.975 1.581
250 HA HIS 35 HA HIS 35 8.722 4.067 2.124
251 HB2 HIS 35 1HB HIS 35 7.012 3.822 -0.344
252 HB3 HIS 35 2HB HIS 35 8.584 3.038 -0.224
253 HD1 HIS 35 HD1 HIS 35 8.511 0.732 0.656
254 HD2 HIS 35 HD2 HIS 35 5.256 2.974 1.936
255 HE1 HIS 35 HE1 HIS 35 7.072 -0.860 1.966
256 H THR 36 H THR 36 7.813 6.860 0.408
257 HA THR 36 HA THR 36 9.951 7.117 -1.402
258 HB THR 36 HB THR 36 8.331 9.269 -0.028
259 HG1 THR 36 HG1 THR 36 6.894 8.827 -1.514
260 HG21 THR 36 3HG2 THR 36 10.377 9.384 -2.220
261 HG22 THR 36 1HG2 THR 36 10.221 10.408 -0.794
262 HG23 THR 36 2HG2 THR 36 9.078 10.573 -2.127
263 H GLY 37 H GLY 37 9.549 8.340 1.918
264 HA2 GLY 37 1HA GLY 37 12.400 9.065 1.935
265 HA3 GLY 37 2HA GLY 37 11.189 9.665 3.057
266 H GLU 38 H GLU 38 11.752 6.310 2.093
267 HA GLU 38 HA GLU 38 12.275 5.686 4.917
268 HB2 GLU 38 1HB GLU 38 10.319 4.574 3.926
269 HB3 GLU 38 2HB GLU 38 11.346 3.874 2.683
270 HG2 GLU 38 1HG GLU 38 12.303 2.368 4.122
271 HG3 GLU 38 2HG GLU 38 11.988 3.362 5.543
272 H SER 39 H SER 39 13.177 4.341 1.736
273 HA SER 39 HA SER 39 15.792 3.625 2.845
274 HB2 SER 39 1HB SER 39 14.210 2.690 0.468
275 HB3 SER 39 2HB SER 39 15.951 2.416 0.539
276 HG SER 39 HG SER 39 15.003 1.700 2.875
277 H GLY 40 H GLY 40 14.417 5.147 -0.073
278 HA2 GLY 40 1HA GLY 40 16.514 7.125 -0.087
279 HA3 GLY 40 2HA GLY 40 16.647 5.957 -1.393
280 HA PRO 41 HA PRO 41 13.555 9.493 -2.286
281 HB2 PRO 41 1HB PRO 41 15.138 11.080 -3.817
282 HB3 PRO 41 2HB PRO 41 14.981 11.281 -2.068
283 HG2 PRO 41 1HG PRO 41 17.140 9.918 -3.631
284 HG3 PRO 41 2HG PRO 41 17.284 11.007 -2.239
285 HD2 PRO 41 1HD PRO 41 17.471 8.315 -2.009
286 HD3 PRO 41 2HD PRO 41 16.797 9.339 -0.724
287 H SER 42 H SER 42 12.268 8.929 -3.915
288 HA SER 42 HA SER 42 13.484 8.077 -6.456
289 HB2 SER 42 1HB SER 42 11.383 6.697 -4.822
290 HB3 SER 42 2HB SER 42 11.362 6.537 -6.578
291 HG SER 42 HG SER 42 13.727 6.082 -5.115
292 H SER 43 H SER 43 12.906 9.430 -8.007
293 HA SER 43 HA SER 43 10.765 11.280 -7.730
294 HB2 SER 43 1HB SER 43 12.724 10.600 -9.886
295 HB3 SER 43 2HB SER 43 11.316 11.578 -10.298
296 HG SER 43 HG SER 43 13.477 12.520 -9.376
297 H GLY 44 H GLY 44 8.768 11.348 -8.710
298 HA2 GLY 44 1HA GLY 44 7.920 8.851 -10.047
299 HA3 GLY 44 2HA GLY 44 6.897 9.727 -8.918
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -28.008 -13.138 -7.287
2 HA2 GLY 1 1HA GLY 1 -26.853 -15.099 -9.155
3 HA3 GLY 1 2HA GLY 1 -27.742 -13.719 -9.782
4 H SER 2 H SER 2 -25.037 -14.487 -7.599
5 HA SER 2 HA SER 2 -23.746 -11.988 -8.464
6 HB2 SER 2 1HB SER 2 -23.392 -13.648 -5.962
7 HB3 SER 2 2HB SER 2 -22.317 -12.320 -6.402
8 HG SER 2 HG SER 2 -24.593 -12.159 -5.112
9 H SER 3 H SER 3 -22.774 -15.252 -7.393
10 HA SER 3 HA SER 3 -21.110 -16.645 -8.079
11 HB2 SER 3 1HB SER 3 -22.548 -16.265 -10.241
12 HB3 SER 3 2HB SER 3 -21.135 -15.365 -10.791
13 HG SER 3 HG SER 3 -21.506 -18.040 -10.617
14 H GLY 4 H GLY 4 -20.249 -14.341 -6.784
15 HA2 GLY 4 1HA GLY 4 -17.539 -14.184 -7.796
16 HA3 GLY 4 2HA GLY 4 -18.422 -12.665 -7.830
17 H SER 5 H SER 5 -17.164 -11.621 -6.320
18 HA SER 5 HA SER 5 -16.159 -11.207 -4.284
19 HB2 SER 5 1HB SER 5 -18.982 -11.937 -3.463
20 HB3 SER 5 2HB SER 5 -17.843 -11.014 -2.482
21 HG SER 5 HG SER 5 -19.215 -10.268 -4.806
22 H SER 6 H SER 6 -15.499 -13.780 -5.075
23 HA SER 6 HA SER 6 -15.694 -15.322 -2.572
24 HB2 SER 6 1HB SER 6 -15.301 -16.229 -5.427
25 HB3 SER 6 2HB SER 6 -15.059 -17.292 -4.041
26 HG SER 6 HG SER 6 -17.458 -15.926 -4.705
27 H GLY 7 H GLY 7 -13.455 -14.843 -5.315
28 HA2 GLY 7 1HA GLY 7 -11.259 -14.623 -3.374
29 HA3 GLY 7 2HA GLY 7 -11.132 -15.804 -4.669
30 H THR 8 H THR 8 -10.430 -12.675 -3.743
31 HA THR 8 HA THR 8 -10.589 -11.359 -6.267
32 HB THR 8 HB THR 8 -9.196 -9.609 -5.231
33 HG1 THR 8 HG1 THR 8 -8.445 -9.901 -3.119
34 HG21 THR 8 3HG2 THR 8 -10.770 -9.525 -3.024
35 HG22 THR 8 1HG2 THR 8 -11.671 -10.658 -4.030
36 HG23 THR 8 2HG2 THR 8 -11.299 -9.044 -4.635
37 H GLY 9 H GLY 9 -7.902 -12.797 -4.424
38 HA2 GLY 9 1HA GLY 9 -6.354 -14.158 -5.843
39 HA3 GLY 9 2HA GLY 9 -6.324 -12.773 -6.924
40 H MET 10 H MET 10 -5.094 -10.975 -6.403
41 HA MET 10 HA MET 10 -2.877 -11.486 -4.657
42 HB2 MET 10 1HB MET 10 -3.657 -9.125 -6.363
43 HB3 MET 10 2HB MET 10 -2.219 -9.126 -5.350
44 HG2 MET 10 1HG MET 10 -1.421 -9.734 -7.437
45 HG3 MET 10 2HG MET 10 -1.581 -11.271 -6.590
46 HE1 MET 10 3HE MET 10 -1.685 -10.135 -9.937
47 HE2 MET 10 1HE MET 10 -1.180 -11.743 -9.414
48 HE3 MET 10 2HE MET 10 -2.510 -11.565 -10.558
49 H LYS 11 H LYS 11 -2.138 -9.600 -3.190
50 HA LYS 11 HA LYS 11 -3.835 -9.429 -1.007
51 HB2 LYS 11 1HB LYS 11 -1.493 -7.735 -1.854
52 HB3 LYS 11 2HB LYS 11 -2.342 -7.453 -0.340
53 HG2 LYS 11 1HG LYS 11 -1.844 -9.790 0.318
54 HG3 LYS 11 2HG LYS 11 -0.885 -9.958 -1.155
55 HD2 LYS 11 1HD LYS 11 0.793 -8.616 -0.378
56 HD3 LYS 11 2HD LYS 11 -0.294 -7.656 0.629
57 HE2 LYS 11 1HE LYS 11 -0.449 -9.467 2.234
58 HE3 LYS 11 2HE LYS 11 0.547 -10.496 1.206
59 HZ1 LYS 11 3HZ LYS 11 2.335 -9.667 2.181
60 HZ2 LYS 11 1HZ LYS 11 1.380 -8.666 3.154
61 HZ3 LYS 11 2HZ LYS 11 1.933 -8.110 1.655
62 HA PRO 12 HA PRO 12 -6.816 -6.382 -2.140
63 HB2 PRO 12 1HB PRO 12 -7.688 -5.741 0.350
64 HB3 PRO 12 2HB PRO 12 -8.114 -7.255 -0.456
65 HG2 PRO 12 1HG PRO 12 -6.013 -6.736 1.611
66 HG3 PRO 12 2HG PRO 12 -7.153 -8.089 1.490
67 HD2 PRO 12 1HD PRO 12 -4.568 -8.288 0.709
68 HD3 PRO 12 2HD PRO 12 -5.878 -9.187 -0.085
69 H TYR 13 H TYR 13 -6.085 -5.037 0.973
70 HA TYR 13 HA TYR 13 -5.005 -2.643 -0.352
71 HB2 TYR 13 1HB TYR 13 -5.941 -2.534 2.470
72 HB3 TYR 13 2HB TYR 13 -6.073 -1.329 1.193
73 HD1 TYR 13 HD2 TYR 13 -7.474 -4.571 2.352
74 HD2 TYR 13 HD1 TYR 13 -8.072 -1.079 -0.005
75 HE1 TYR 13 HE2 TYR 13 -9.816 -5.226 1.985
76 HE2 TYR 13 HE1 TYR 13 -10.416 -1.724 -0.377
77 HH TYR 13 HH TYR 13 -11.939 -4.216 1.395
78 H VAL 14 H VAL 14 -3.814 -5.268 0.993
79 HA VAL 14 HA VAL 14 -2.059 -4.212 2.998
80 HB VAL 14 HB VAL 14 -1.891 -6.828 1.495
81 HG11 VAL 14 1HG1 VAL 14 -0.272 -5.602 3.632
82 HG12 VAL 14 2HG1 VAL 14 -0.711 -7.295 3.868
83 HG13 VAL 14 3HG1 VAL 14 0.169 -6.804 2.420
84 HG21 VAL 14 3HG2 VAL 14 -2.718 -7.058 4.230
85 HG22 VAL 14 1HG2 VAL 14 -3.789 -5.950 3.371
86 HG23 VAL 14 2HG2 VAL 14 -3.547 -7.589 2.767
87 H CYS 15 H CYS 15 0.110 -3.733 2.850
88 HA CYS 15 HA CYS 15 1.024 -2.695 0.370
89 HB2 CYS 15 1HB CYS 15 1.628 -2.077 2.877
90 HB3 CYS 15 2HB CYS 15 2.930 -3.230 2.606
91 H ASN 16 H ASN 16 1.874 -3.784 -1.264
92 HA ASN 16 HA ASN 16 2.792 -6.504 -0.903
93 HB2 ASN 16 1HB ASN 16 2.692 -4.806 -3.407
94 HB3 ASN 16 2HB ASN 16 2.983 -6.542 -3.345
95 HD21 ASN 16 1HD2 ASN 16 0.652 -4.047 -3.329
96 HD22 ASN 16 2HD2 ASN 16 -0.754 -5.049 -3.245
97 H GLU 17 H GLU 17 4.336 -4.326 0.304
98 HA GLU 17 HA GLU 17 6.912 -4.914 -0.980
99 HB2 GLU 17 1HB GLU 17 6.214 -2.216 0.182
100 HB3 GLU 17 2HB GLU 17 7.675 -2.656 -0.692
101 HG2 GLU 17 1HG GLU 17 5.073 -2.979 -2.080
102 HG3 GLU 17 2HG GLU 17 5.694 -1.347 -1.841
103 H CYS 18 H CYS 18 5.165 -3.942 1.922
104 HA CYS 18 HA CYS 18 7.411 -4.965 3.535
105 HB2 CYS 18 1HB CYS 18 6.666 -3.438 5.329
106 HB3 CYS 18 2HB CYS 18 7.135 -2.569 3.872
107 H GLY 19 H GLY 19 3.904 -4.745 3.200
108 HA2 GLY 19 1HA GLY 19 2.633 -6.797 3.586
109 HA3 GLY 19 2HA GLY 19 3.690 -7.113 4.954
110 H LYS 20 H LYS 20 2.660 -3.866 4.480
111 HA LYS 20 HA LYS 20 1.279 -3.876 6.998
112 HB2 LYS 20 1HB LYS 20 2.698 -1.986 5.776
113 HB3 LYS 20 2HB LYS 20 1.116 -1.547 5.144
114 HG2 LYS 20 1HG LYS 20 1.892 -1.736 8.047
115 HG3 LYS 20 2HG LYS 20 1.613 -0.259 7.123
116 HD2 LYS 20 1HD LYS 20 -0.729 -1.244 6.679
117 HD3 LYS 20 2HD LYS 20 -0.367 -2.322 8.029
118 HE2 LYS 20 1HE LYS 20 0.276 -0.090 9.238
119 HE3 LYS 20 2HE LYS 20 -0.754 0.638 8.007
120 HZ1 LYS 20 3HZ LYS 20 -1.471 -1.109 10.235
121 HZ2 LYS 20 1HZ LYS 20 -2.357 -1.279 8.803
122 HZ3 LYS 20 2HZ LYS 20 -2.301 0.217 9.590
123 H ALA 21 H ALA 21 -0.724 -4.630 7.175
124 HA ALA 21 HA ALA 21 -2.542 -4.546 4.906
125 HB1 ALA 21 3HB ALA 21 -3.347 -5.606 7.572
126 HB2 ALA 21 1HB ALA 21 -3.773 -6.171 5.956
127 HB3 ALA 21 2HB ALA 21 -2.169 -6.502 6.612
128 H PHE 22 H PHE 22 -4.389 -3.352 4.781
129 HA PHE 22 HA PHE 22 -4.974 -1.532 7.020
130 HB2 PHE 22 1HB PHE 22 -5.089 -0.798 4.087
131 HB3 PHE 22 2HB PHE 22 -5.433 0.267 5.447
132 HD1 PHE 22 HD1 PHE 22 -2.745 -1.705 3.832
133 HD2 PHE 22 HD2 PHE 22 -3.725 1.477 6.483
134 HE1 PHE 22 HE1 PHE 22 -0.379 -1.035 3.897
135 HE2 PHE 22 HE2 PHE 22 -1.360 2.153 6.552
136 HZ PHE 22 HZ PHE 22 0.316 0.897 5.257
137 H ARG 23 H ARG 23 -7.203 -0.358 6.395
138 HA ARG 23 HA ARG 23 -9.107 -2.551 6.105
139 HB2 ARG 23 1HB ARG 23 -9.684 0.312 6.869
140 HB3 ARG 23 2HB ARG 23 -10.728 -1.085 7.093
141 HG2 ARG 23 1HG ARG 23 -9.914 -0.853 9.205
142 HG3 ARG 23 2HG ARG 23 -8.704 -1.949 8.534
143 HD2 ARG 23 1HD ARG 23 -7.127 -0.240 8.285
144 HD3 ARG 23 2HD ARG 23 -8.347 1.026 8.414
145 HE ARG 23 HE ARG 23 -7.042 -0.370 10.586
146 HH11 ARG 23 1HH1 ARG 23 -9.699 1.649 9.594
147 HH12 ARG 23 2HH1 ARG 23 -9.998 2.262 11.187
148 HH21 ARG 23 1HH2 ARG 23 -7.426 0.430 12.688
149 HH22 ARG 23 2HH2 ARG 23 -8.704 1.569 12.946
150 H SER 24 H SER 24 -8.281 0.551 4.642
151 HA SER 24 HA SER 24 -10.048 -0.131 2.384
152 HB2 SER 24 1HB SER 24 -10.271 2.351 2.021
153 HB3 SER 24 2HB SER 24 -11.020 1.762 3.505
154 HG SER 24 HG SER 24 -8.368 2.600 3.657
155 H LYS 25 H LYS 25 -9.374 1.133 0.353
156 HA LYS 25 HA LYS 25 -6.653 0.443 -0.217
157 HB2 LYS 25 1HB LYS 25 -8.245 0.097 -1.957
158 HB3 LYS 25 2HB LYS 25 -8.833 1.750 -1.841
159 HG2 LYS 25 1HG LYS 25 -6.914 2.622 -2.868
160 HG3 LYS 25 2HG LYS 25 -6.011 1.123 -2.641
161 HD2 LYS 25 1HD LYS 25 -8.510 1.017 -4.247
162 HD3 LYS 25 2HD LYS 25 -7.090 1.772 -4.975
163 HE2 LYS 25 1HE LYS 25 -5.825 -0.205 -4.805
164 HE3 LYS 25 2HE LYS 25 -6.970 -0.937 -3.682
165 HZ1 LYS 25 3HZ LYS 25 -8.555 -0.579 -5.757
166 HZ2 LYS 25 1HZ LYS 25 -7.618 -1.974 -5.566
167 HZ3 LYS 25 2HZ LYS 25 -7.089 -0.734 -6.587
168 H SER 26 H SER 26 -8.421 3.405 0.411
169 HA SER 26 HA SER 26 -6.477 5.239 -0.466
170 HB2 SER 26 1HB SER 26 -8.810 5.871 0.035
171 HB3 SER 26 2HB SER 26 -8.516 5.575 1.748
172 HG SER 26 HG SER 26 -7.748 7.700 0.155
173 H TYR 27 H TYR 27 -6.866 3.473 2.535
174 HA TYR 27 HA TYR 27 -5.009 4.941 4.078
175 HB2 TYR 27 1HB TYR 27 -6.353 2.299 4.295
176 HB3 TYR 27 2HB TYR 27 -4.899 2.538 5.258
177 HD1 TYR 27 HD1 TYR 27 -5.119 5.359 6.028
178 HD2 TYR 27 HD2 TYR 27 -8.119 2.350 5.808
179 HE1 TYR 27 HE1 TYR 27 -6.436 6.556 7.726
180 HE2 TYR 27 HE2 TYR 27 -9.444 3.539 7.504
181 HH TYR 27 HH TYR 27 -8.637 5.365 9.522
182 H LEU 28 H LEU 28 -4.683 2.239 1.861
183 HA LEU 28 HA LEU 28 -1.928 1.746 2.517
184 HB2 LEU 28 1HB LEU 28 -3.129 -0.120 1.744
185 HB3 LEU 28 2HB LEU 28 -3.777 0.766 0.366
186 HG LEU 28 HG LEU 28 -1.436 0.827 -0.559
187 HD11 LEU 28 1HD1 LEU 28 0.168 -0.778 0.307
188 HD12 LEU 28 2HD1 LEU 28 -0.946 -1.219 1.601
189 HD13 LEU 28 3HD1 LEU 28 -0.257 0.403 1.545
190 HD21 LEU 28 3HD2 LEU 28 -2.197 -0.845 -1.801
191 HD22 LEU 28 1HD2 LEU 28 -3.371 -1.244 -0.546
192 HD23 LEU 28 2HD2 LEU 28 -1.775 -1.996 -0.532
193 H ILE 29 H ILE 29 -3.681 3.689 0.219
194 HA ILE 29 HA ILE 29 -1.511 4.176 -1.557
195 HB ILE 29 HB ILE 29 -4.048 5.740 -1.075
196 HG12 ILE 29 1HG1 ILE 29 -3.411 4.112 -3.512
197 HG13 ILE 29 2HG1 ILE 29 -4.005 3.315 -2.060
198 HG21 ILE 29 1HG2 ILE 29 -1.721 6.597 -2.379
199 HG22 ILE 29 2HG2 ILE 29 -2.861 6.167 -3.653
200 HG23 ILE 29 3HG2 ILE 29 -3.317 7.346 -2.423
201 HD11 ILE 29 3HD1 ILE 29 -5.674 4.030 -3.888
202 HD12 ILE 29 1HD1 ILE 29 -6.073 4.329 -2.197
203 HD13 ILE 29 2HD1 ILE 29 -5.475 5.645 -3.208
204 H ILE 30 H ILE 30 -2.773 5.827 1.293
205 HA ILE 30 HA ILE 30 -1.002 8.068 1.055
206 HB ILE 30 HB ILE 30 -1.791 8.716 3.264
207 HG12 ILE 30 1HG1 ILE 30 -3.607 6.354 3.427
208 HG13 ILE 30 2HG1 ILE 30 -1.927 6.139 3.905
209 HG21 ILE 30 1HG2 ILE 30 -4.033 7.688 1.529
210 HG22 ILE 30 2HG2 ILE 30 -4.166 8.943 2.760
211 HG23 ILE 30 3HG2 ILE 30 -3.186 9.220 1.320
212 HD11 ILE 30 3HD1 ILE 30 -3.474 8.421 5.025
213 HD12 ILE 30 1HD1 ILE 30 -3.735 6.796 5.659
214 HD13 ILE 30 2HD1 ILE 30 -2.128 7.519 5.721
215 H HIS 31 H HIS 31 -0.692 4.884 2.212
216 HA HIS 31 HA HIS 31 1.537 5.541 3.982
217 HB2 HIS 31 1HB HIS 31 0.358 3.891 5.051
218 HB3 HIS 31 2HB HIS 31 -0.184 3.153 3.547
219 HD1 HIS 31 HD1 HIS 31 1.987 2.522 6.290
220 HD2 HIS 31 HD2 HIS 31 2.172 1.807 2.201
221 HE1 HIS 31 HE1 HIS 31 3.715 0.718 6.000
222 H THR 32 H THR 32 0.850 3.792 0.990
223 HA THR 32 HA THR 32 3.381 2.709 0.534
224 HB THR 32 HB THR 32 1.176 2.326 -0.767
225 HG1 THR 32 HG1 THR 32 3.815 2.288 -1.658
226 HG21 THR 32 3HG2 THR 32 0.788 4.609 -1.482
227 HG22 THR 32 1HG2 THR 32 1.059 3.587 -2.893
228 HG23 THR 32 2HG2 THR 32 2.344 4.645 -2.310
229 H ARG 33 H ARG 33 2.175 5.949 0.090
230 HA ARG 33 HA ARG 33 4.243 6.873 -1.624
231 HB2 ARG 33 1HB ARG 33 3.446 9.116 -1.048
232 HB3 ARG 33 2HB ARG 33 2.104 8.045 -1.428
233 HG2 ARG 33 1HG ARG 33 1.914 7.684 1.096
234 HG3 ARG 33 2HG ARG 33 2.960 9.099 1.242
235 HD2 ARG 33 1HD ARG 33 0.463 9.157 -0.420
236 HD3 ARG 33 2HD ARG 33 0.416 9.452 1.317
237 HE ARG 33 HE ARG 33 2.333 11.064 -0.106
238 HH11 ARG 33 1HH1 ARG 33 -0.962 10.797 0.985
239 HH12 ARG 33 2HH1 ARG 33 -1.248 12.505 0.955
240 HH21 ARG 33 1HH2 ARG 33 1.969 13.316 -0.149
241 HH22 ARG 33 2HH2 ARG 33 0.420 13.937 0.309
242 H THR 34 H THR 34 3.824 6.780 1.874
243 HA THR 34 HA THR 34 5.965 8.396 2.632
244 HB THR 34 HB THR 34 5.889 7.321 4.785
245 HG1 THR 34 HG1 THR 34 5.764 5.130 3.844
246 HG21 THR 34 3HG2 THR 34 3.782 7.967 5.356
247 HG22 THR 34 1HG2 THR 34 3.030 7.068 4.039
248 HG23 THR 34 2HG2 THR 34 3.809 8.618 3.718
249 H HIS 35 H HIS 35 5.899 5.109 1.474
250 HA HIS 35 HA HIS 35 8.398 4.225 2.363
251 HB2 HIS 35 1HB HIS 35 6.570 3.481 0.128
252 HB3 HIS 35 2HB HIS 35 8.220 2.868 0.080
253 HD1 HIS 35 HD1 HIS 35 8.917 1.699 2.546
254 HD2 HIS 35 HD2 HIS 35 4.914 1.807 1.438
255 HE1 HIS 35 HE1 HIS 35 7.789 -0.073 3.928
256 H THR 36 H THR 36 7.530 6.435 -0.155
257 HA THR 36 HA THR 36 9.946 6.285 -1.649
258 HB THR 36 HB THR 36 7.889 8.494 -1.477
259 HG1 THR 36 HG1 THR 36 7.253 6.401 -2.376
260 HG21 THR 36 3HG2 THR 36 10.096 9.316 -2.236
261 HG22 THR 36 1HG2 THR 36 8.873 9.387 -3.505
262 HG23 THR 36 2HG2 THR 36 10.082 8.103 -3.516
263 H GLY 37 H GLY 37 8.795 8.433 0.932
264 HA2 GLY 37 1HA GLY 37 10.400 9.161 2.610
265 HA3 GLY 37 2HA GLY 37 11.597 9.273 1.329
266 H GLU 38 H GLU 38 8.257 10.447 1.308
267 HA GLU 38 HA GLU 38 9.308 13.142 0.792
268 HB2 GLU 38 1HB GLU 38 7.689 11.865 -0.816
269 HB3 GLU 38 2HB GLU 38 6.453 12.355 0.333
270 HG2 GLU 38 1HG GLU 38 6.884 14.657 -0.055
271 HG3 GLU 38 2HG GLU 38 8.336 14.290 -0.986
272 H SER 39 H SER 39 9.316 12.285 3.430
273 HA SER 39 HA SER 39 6.951 13.137 4.803
274 HB2 SER 39 1HB SER 39 8.123 12.650 6.810
275 HB3 SER 39 2HB SER 39 8.675 11.449 5.643
276 HG SER 39 HG SER 39 10.613 12.196 5.887
277 H GLY 40 H GLY 40 6.379 15.134 5.360
278 HA2 GLY 40 1HA GLY 40 7.565 17.173 6.498
279 HA3 GLY 40 2HA GLY 40 8.296 17.304 4.906
280 HA PRO 41 HA PRO 41 4.546 19.952 4.804
281 HB2 PRO 41 1HB PRO 41 5.680 21.863 3.244
282 HB3 PRO 41 2HB PRO 41 5.860 21.827 5.003
283 HG2 PRO 41 1HG PRO 41 7.755 20.883 2.886
284 HG3 PRO 41 2HG PRO 41 8.096 21.797 4.367
285 HD2 PRO 41 1HD PRO 41 8.511 19.129 4.174
286 HD3 PRO 41 2HD PRO 41 8.036 19.914 5.694
287 H SER 42 H SER 42 6.115 17.946 2.719
288 HA SER 42 HA SER 42 5.562 18.573 0.151
289 HB2 SER 42 1HB SER 42 5.447 16.243 -0.347
290 HB3 SER 42 2HB SER 42 6.522 16.395 1.043
291 HG SER 42 HG SER 42 5.072 14.748 1.451
292 H SER 43 H SER 43 3.787 17.907 -1.304
293 HA SER 43 HA SER 43 1.160 17.544 -0.193
294 HB2 SER 43 1HB SER 43 1.561 20.006 0.084
295 HB3 SER 43 2HB SER 43 1.713 20.128 -1.668
296 HG SER 43 HG SER 43 -0.487 18.912 -1.452
297 H GLY 44 H GLY 44 -0.416 17.041 -1.772
298 HA2 GLY 44 1HA GLY 44 -0.098 17.239 -4.538
299 HA3 GLY 44 2HA GLY 44 0.588 15.697 -4.047
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -15.731 -33.114 -5.448
2 HA2 GLY 1 1HA GLY 1 -16.892 -33.090 -2.732
3 HA3 GLY 1 2HA GLY 1 -15.423 -32.239 -3.185
4 H SER 2 H SER 2 -18.922 -32.310 -3.570
5 HA SER 2 HA SER 2 -19.489 -30.211 -5.158
6 HB2 SER 2 1HB SER 2 -21.200 -31.524 -3.955
7 HB3 SER 2 2HB SER 2 -20.778 -30.691 -2.459
8 HG SER 2 HG SER 2 -21.477 -29.173 -4.708
9 H SER 3 H SER 3 -18.447 -29.962 -1.780
10 HA SER 3 HA SER 3 -18.707 -27.296 -1.287
11 HB2 SER 3 1HB SER 3 -17.641 -29.211 0.146
12 HB3 SER 3 2HB SER 3 -16.125 -28.632 -0.544
13 HG SER 3 HG SER 3 -17.180 -26.467 0.207
14 H GLY 4 H GLY 4 -15.820 -28.789 -2.767
15 HA2 GLY 4 1HA GLY 4 -14.080 -27.812 -3.933
16 HA3 GLY 4 2HA GLY 4 -15.402 -27.111 -4.854
17 H SER 5 H SER 5 -13.086 -26.584 -2.291
18 HA SER 5 HA SER 5 -13.922 -23.935 -1.659
19 HB2 SER 5 1HB SER 5 -12.496 -25.520 -0.225
20 HB3 SER 5 2HB SER 5 -11.139 -25.012 -1.230
21 HG SER 5 HG SER 5 -12.384 -23.694 0.796
22 H SER 6 H SER 6 -13.922 -22.409 -3.184
23 HA SER 6 HA SER 6 -11.406 -21.830 -4.552
24 HB2 SER 6 1HB SER 6 -13.139 -23.250 -5.962
25 HB3 SER 6 2HB SER 6 -13.901 -21.676 -6.193
26 HG SER 6 HG SER 6 -11.148 -21.827 -6.579
27 H GLY 7 H GLY 7 -11.307 -19.658 -5.426
28 HA2 GLY 7 1HA GLY 7 -12.834 -17.583 -5.614
29 HA3 GLY 7 2HA GLY 7 -13.017 -17.828 -3.883
30 H THR 8 H THR 8 -11.524 -15.935 -6.002
31 HA THR 8 HA THR 8 -8.985 -15.788 -4.534
32 HB THR 8 HB THR 8 -9.702 -14.374 -7.106
33 HG1 THR 8 HG1 THR 8 -9.263 -16.191 -8.084
34 HG21 THR 8 3HG2 THR 8 -7.500 -13.707 -7.239
35 HG22 THR 8 1HG2 THR 8 -6.928 -15.014 -6.204
36 HG23 THR 8 2HG2 THR 8 -7.764 -13.631 -5.497
37 H GLY 9 H GLY 9 -8.499 -14.098 -3.257
38 HA2 GLY 9 1HA GLY 9 -9.357 -11.472 -3.524
39 HA3 GLY 9 2HA GLY 9 -10.533 -12.272 -2.491
40 H MET 10 H MET 10 -7.056 -11.657 -2.838
41 HA MET 10 HA MET 10 -6.889 -11.173 0.022
42 HB2 MET 10 1HB MET 10 -4.854 -12.652 0.195
43 HB3 MET 10 2HB MET 10 -6.386 -13.499 0.025
44 HG2 MET 10 1HG MET 10 -5.738 -13.391 -2.538
45 HG3 MET 10 2HG MET 10 -4.114 -13.281 -1.863
46 HE1 MET 10 3HE MET 10 -4.101 -16.558 0.390
47 HE2 MET 10 1HE MET 10 -3.168 -15.136 -0.076
48 HE3 MET 10 2HE MET 10 -4.650 -14.949 0.861
49 H LYS 11 H LYS 11 -5.022 -9.991 0.644
50 HA LYS 11 HA LYS 11 -3.445 -8.371 0.395
51 HB2 LYS 11 1HB LYS 11 -2.647 -9.406 -2.285
52 HB3 LYS 11 2HB LYS 11 -1.640 -8.858 -0.951
53 HG2 LYS 11 1HG LYS 11 -2.306 -10.943 0.277
54 HG3 LYS 11 2HG LYS 11 -3.058 -11.496 -1.222
55 HD2 LYS 11 1HD LYS 11 -0.906 -12.458 -1.204
56 HD3 LYS 11 2HD LYS 11 -0.802 -11.097 -2.323
57 HE2 LYS 11 1HE LYS 11 1.140 -10.985 -0.989
58 HE3 LYS 11 2HE LYS 11 0.061 -9.735 -0.372
59 HZ1 LYS 11 3HZ LYS 11 0.260 -12.443 0.819
60 HZ2 LYS 11 1HZ LYS 11 -0.517 -11.086 1.466
61 HZ3 LYS 11 2HZ LYS 11 1.171 -11.123 1.358
62 HA PRO 12 HA PRO 12 -6.224 -6.432 -2.965
63 HB2 PRO 12 1HB PRO 12 -8.035 -5.229 -1.339
64 HB3 PRO 12 2HB PRO 12 -8.258 -6.860 -1.985
65 HG2 PRO 12 1HG PRO 12 -7.283 -6.008 0.715
66 HG3 PRO 12 2HG PRO 12 -8.423 -7.299 0.293
67 HD2 PRO 12 1HD PRO 12 -5.825 -7.784 0.884
68 HD3 PRO 12 2HD PRO 12 -6.741 -8.770 -0.274
69 H TYR 13 H TYR 13 -5.755 -5.047 0.295
70 HA TYR 13 HA TYR 13 -4.659 -2.634 -0.992
71 HB2 TYR 13 1HB TYR 13 -5.620 -2.513 1.817
72 HB3 TYR 13 2HB TYR 13 -5.705 -1.300 0.545
73 HD1 TYR 13 HD2 TYR 13 -7.273 -4.378 1.855
74 HD2 TYR 13 HD1 TYR 13 -7.630 -1.104 -0.838
75 HE1 TYR 13 HE2 TYR 13 -9.633 -4.958 1.472
76 HE2 TYR 13 HE1 TYR 13 -9.990 -1.673 -1.228
77 HH TYR 13 HH TYR 13 -11.665 -3.034 -0.720
78 H VAL 14 H VAL 14 -3.536 -5.303 0.240
79 HA VAL 14 HA VAL 14 -1.810 -4.398 2.340
80 HB VAL 14 HB VAL 14 -1.610 -6.912 0.677
81 HG11 VAL 14 1HG1 VAL 14 0.025 -7.656 2.062
82 HG12 VAL 14 2HG1 VAL 14 0.335 -5.926 2.223
83 HG13 VAL 14 3HG1 VAL 14 -0.601 -6.774 3.455
84 HG21 VAL 14 3HG2 VAL 14 -2.917 -8.018 2.288
85 HG22 VAL 14 1HG2 VAL 14 -2.803 -6.674 3.424
86 HG23 VAL 14 2HG2 VAL 14 -3.775 -6.513 1.961
87 H CYS 15 H CYS 15 0.207 -3.607 2.224
88 HA CYS 15 HA CYS 15 1.220 -2.579 -0.183
89 HB2 CYS 15 1HB CYS 15 1.722 -2.008 2.358
90 HB3 CYS 15 2HB CYS 15 3.067 -3.114 2.100
91 H ASN 16 H ASN 16 2.137 -3.613 -1.816
92 HA ASN 16 HA ASN 16 3.125 -6.310 -1.493
93 HB2 ASN 16 1HB ASN 16 3.164 -4.589 -3.979
94 HB3 ASN 16 2HB ASN 16 3.325 -6.341 -3.897
95 HD21 ASN 16 1HD2 ASN 16 1.562 -7.510 -4.165
96 HD22 ASN 16 2HD2 ASN 16 -0.062 -6.926 -4.075
97 H GLU 17 H GLU 17 4.518 -3.857 -0.354
98 HA GLU 17 HA GLU 17 7.166 -4.398 -1.528
99 HB2 GLU 17 1HB GLU 17 6.309 -1.810 -0.228
100 HB3 GLU 17 2HB GLU 17 7.825 -2.128 -1.059
101 HG2 GLU 17 1HG GLU 17 5.275 -2.456 -2.554
102 HG3 GLU 17 2HG GLU 17 5.877 -0.831 -2.233
103 H CYS 18 H CYS 18 5.327 -3.697 1.393
104 HA CYS 18 HA CYS 18 7.576 -4.751 2.979
105 HB2 CYS 18 1HB CYS 18 6.783 -3.336 4.847
106 HB3 CYS 18 2HB CYS 18 7.272 -2.384 3.449
107 H GLY 19 H GLY 19 4.105 -4.659 2.479
108 HA2 GLY 19 1HA GLY 19 2.848 -6.707 2.777
109 HA3 GLY 19 2HA GLY 19 3.889 -7.086 4.141
110 H LYS 20 H LYS 20 2.865 -3.828 3.895
111 HA LYS 20 HA LYS 20 1.470 -3.976 6.379
112 HB2 LYS 20 1HB LYS 20 2.796 -1.995 5.303
113 HB3 LYS 20 2HB LYS 20 1.263 -1.630 4.523
114 HG2 LYS 20 1HG LYS 20 1.384 -0.306 6.479
115 HG3 LYS 20 2HG LYS 20 0.218 -1.592 6.800
116 HD2 LYS 20 1HD LYS 20 2.032 -2.864 7.938
117 HD3 LYS 20 2HD LYS 20 3.087 -1.464 7.726
118 HE2 LYS 20 1HE LYS 20 2.231 -1.282 9.911
119 HE3 LYS 20 2HE LYS 20 1.312 -0.126 8.949
120 HZ1 LYS 20 3HZ LYS 20 -0.558 -1.162 9.471
121 HZ2 LYS 20 1HZ LYS 20 0.310 -2.159 10.528
122 HZ3 LYS 20 2HZ LYS 20 0.037 -2.652 8.933
123 H ALA 21 H ALA 21 -0.487 -4.845 6.553
124 HA ALA 21 HA ALA 21 -2.348 -4.761 4.319
125 HB1 ALA 21 3HB ALA 21 -3.764 -6.165 5.904
126 HB2 ALA 21 1HB ALA 21 -2.253 -6.875 5.334
127 HB3 ALA 21 2HB ALA 21 -2.351 -6.194 6.958
128 H PHE 22 H PHE 22 -4.208 -3.606 4.246
129 HA PHE 22 HA PHE 22 -4.894 -1.970 6.594
130 HB2 PHE 22 1HB PHE 22 -4.947 -1.036 3.717
131 HB3 PHE 22 2HB PHE 22 -5.406 -0.084 5.125
132 HD1 PHE 22 HD2 PHE 22 -3.709 0.723 6.687
133 HD2 PHE 22 HD1 PHE 22 -2.653 -1.393 3.148
134 HE1 PHE 22 HE2 PHE 22 -1.389 1.509 6.914
135 HE2 PHE 22 HE1 PHE 22 -0.330 -0.611 3.370
136 HZ PHE 22 HZ PHE 22 0.304 0.843 5.254
137 H ARG 23 H ARG 23 -7.143 -0.775 5.862
138 HA ARG 23 HA ARG 23 -8.970 -3.020 5.438
139 HB2 ARG 23 1HB ARG 23 -9.366 -0.250 6.567
140 HB3 ARG 23 2HB ARG 23 -10.700 -1.349 6.241
141 HG2 ARG 23 1HG ARG 23 -8.401 -2.112 8.012
142 HG3 ARG 23 2HG ARG 23 -9.820 -1.257 8.620
143 HD2 ARG 23 1HD ARG 23 -9.796 -3.939 7.239
144 HD3 ARG 23 2HD ARG 23 -10.057 -3.651 8.959
145 HE ARG 23 HE ARG 23 -11.989 -2.180 7.688
146 HH11 ARG 23 1HH1 ARG 23 -11.042 -5.530 7.752
147 HH12 ARG 23 2HH1 ARG 23 -12.643 -6.123 7.456
148 HH21 ARG 23 1HH2 ARG 23 -14.100 -2.949 7.298
149 HH22 ARG 23 2HH2 ARG 23 -14.381 -4.654 7.197
150 H SER 24 H SER 24 -8.105 0.118 4.116
151 HA SER 24 HA SER 24 -9.711 -0.516 1.737
152 HB2 SER 24 1HB SER 24 -10.539 1.712 1.562
153 HB3 SER 24 2HB SER 24 -10.818 1.218 3.231
154 HG SER 24 HG SER 24 -9.142 3.160 2.214
155 H LYS 25 H LYS 25 -9.050 0.880 -0.159
156 HA LYS 25 HA LYS 25 -6.263 0.588 -0.590
157 HB2 LYS 25 1HB LYS 25 -8.198 0.534 -2.302
158 HB3 LYS 25 2HB LYS 25 -8.060 2.287 -2.300
159 HG2 LYS 25 1HG LYS 25 -5.853 2.207 -3.149
160 HG3 LYS 25 2HG LYS 25 -5.737 0.468 -2.869
161 HD2 LYS 25 1HD LYS 25 -6.134 0.606 -5.155
162 HD3 LYS 25 2HD LYS 25 -7.742 0.307 -4.492
163 HE2 LYS 25 1HE LYS 25 -8.327 2.615 -4.690
164 HE3 LYS 25 2HE LYS 25 -6.671 3.056 -5.104
165 HZ1 LYS 25 3HZ LYS 25 -7.517 2.962 -7.178
166 HZ2 LYS 25 1HZ LYS 25 -8.749 1.878 -6.767
167 HZ3 LYS 25 2HZ LYS 25 -7.177 1.312 -7.026
168 H SER 26 H SER 26 -8.339 3.382 0.033
169 HA SER 26 HA SER 26 -6.539 5.435 -0.402
170 HB2 SER 26 1HB SER 26 -9.070 5.443 0.340
171 HB3 SER 26 2HB SER 26 -8.378 5.594 1.955
172 HG SER 26 HG SER 26 -7.068 7.349 0.742
173 H TYR 27 H TYR 27 -6.813 3.256 2.326
174 HA TYR 27 HA TYR 27 -5.053 4.700 4.044
175 HB2 TYR 27 1HB TYR 27 -6.820 2.783 4.539
176 HB3 TYR 27 2HB TYR 27 -5.410 1.751 4.331
177 HD1 TYR 27 HD1 TYR 27 -3.237 2.824 5.623
178 HD2 TYR 27 HD2 TYR 27 -7.320 3.304 6.720
179 HE1 TYR 27 HE1 TYR 27 -2.554 3.285 7.940
180 HE2 TYR 27 HE2 TYR 27 -6.648 3.767 9.040
181 HH TYR 27 HH TYR 27 -4.904 4.240 10.393
182 H LEU 28 H LEU 28 -4.659 2.129 1.680
183 HA LEU 28 HA LEU 28 -1.916 1.616 2.342
184 HB2 LEU 28 1HB LEU 28 -2.990 -0.207 1.391
185 HB3 LEU 28 2HB LEU 28 -3.765 0.774 0.149
186 HG LEU 28 HG LEU 28 -1.378 1.082 -0.783
187 HD11 LEU 28 1HD1 LEU 28 0.264 0.129 0.363
188 HD12 LEU 28 2HD1 LEU 28 -0.416 -1.442 -0.059
189 HD13 LEU 28 3HD1 LEU 28 -0.882 -0.657 1.450
190 HD21 LEU 28 3HD2 LEU 28 -3.209 -0.230 -1.822
191 HD22 LEU 28 1HD2 LEU 28 -2.654 -1.645 -0.928
192 HD23 LEU 28 2HD2 LEU 28 -1.604 -0.895 -2.131
193 H ILE 29 H ILE 29 -3.608 3.815 0.274
194 HA ILE 29 HA ILE 29 -1.402 4.429 -1.440
195 HB ILE 29 HB ILE 29 -3.960 5.933 -0.887
196 HG12 ILE 29 1HG1 ILE 29 -3.254 4.556 -3.453
197 HG13 ILE 29 2HG1 ILE 29 -3.852 3.606 -2.098
198 HG21 ILE 29 1HG2 ILE 29 -3.092 7.682 -1.939
199 HG22 ILE 29 2HG2 ILE 29 -1.571 6.822 -2.170
200 HG23 ILE 29 3HG2 ILE 29 -2.854 6.681 -3.371
201 HD11 ILE 29 3HD1 ILE 29 -5.931 4.643 -2.135
202 HD12 ILE 29 1HD1 ILE 29 -5.339 6.008 -3.081
203 HD13 ILE 29 2HD1 ILE 29 -5.531 4.427 -3.838
204 H ILE 30 H ILE 30 -2.875 6.018 1.375
205 HA ILE 30 HA ILE 30 -1.087 8.214 1.422
206 HB ILE 30 HB ILE 30 -1.899 8.604 3.709
207 HG12 ILE 30 1HG1 ILE 30 -3.866 6.957 4.339
208 HG13 ILE 30 2HG1 ILE 30 -2.953 5.829 3.343
209 HG21 ILE 30 1HG2 ILE 30 -3.378 8.644 1.341
210 HG22 ILE 30 2HG2 ILE 30 -4.470 7.999 2.565
211 HG23 ILE 30 3HG2 ILE 30 -3.693 9.562 2.813
212 HD11 ILE 30 3HD1 ILE 30 -1.719 7.343 5.621
213 HD12 ILE 30 1HD1 ILE 30 -2.497 5.773 5.820
214 HD13 ILE 30 2HD1 ILE 30 -1.087 5.932 4.773
215 H HIS 31 H HIS 31 -0.688 4.953 2.253
216 HA HIS 31 HA HIS 31 1.468 5.485 4.149
217 HB2 HIS 31 1HB HIS 31 0.291 3.685 4.971
218 HB3 HIS 31 2HB HIS 31 -0.113 3.079 3.367
219 HD1 HIS 31 HD1 HIS 31 2.379 2.775 6.079
220 HD2 HIS 31 HD2 HIS 31 1.942 1.521 2.143
221 HE1 HIS 31 HE1 HIS 31 4.113 0.985 5.748
222 H THR 32 H THR 32 1.001 3.631 1.139
223 HA THR 32 HA THR 32 3.551 2.851 0.598
224 HB THR 32 HB THR 32 1.487 2.436 -0.820
225 HG1 THR 32 HG1 THR 32 4.088 2.630 -1.524
226 HG21 THR 32 3HG2 THR 32 1.326 4.022 -2.800
227 HG22 THR 32 1HG2 THR 32 2.266 5.161 -1.837
228 HG23 THR 32 2HG2 THR 32 0.688 4.617 -1.268
229 H ARG 33 H ARG 33 2.368 6.074 0.692
230 HA ARG 33 HA ARG 33 4.522 7.187 -0.885
231 HB2 ARG 33 1HB ARG 33 3.542 9.364 -0.265
232 HB3 ARG 33 2HB ARG 33 2.349 8.271 -0.954
233 HG2 ARG 33 1HG ARG 33 1.612 7.715 1.353
234 HG3 ARG 33 2HG ARG 33 2.717 8.955 1.953
235 HD2 ARG 33 1HD ARG 33 0.579 9.525 -0.085
236 HD3 ARG 33 2HD ARG 33 0.294 9.642 1.651
237 HE ARG 33 HE ARG 33 1.571 11.563 1.715
238 HH11 ARG 33 1HH1 ARG 33 1.838 10.043 -1.406
239 HH12 ARG 33 2HH1 ARG 33 2.620 11.401 -2.146
240 HH21 ARG 33 1HH2 ARG 33 2.600 13.357 0.752
241 HH22 ARG 33 2HH2 ARG 33 3.053 13.285 -0.917
242 H THR 34 H THR 34 3.690 6.788 2.503
243 HA THR 34 HA THR 34 5.534 8.493 3.684
244 HB THR 34 HB THR 34 3.691 6.972 4.754
245 HG1 THR 34 HG1 THR 34 4.493 7.737 6.576
246 HG21 THR 34 3HG2 THR 34 6.081 5.268 5.387
247 HG22 THR 34 1HG2 THR 34 5.028 4.895 4.023
248 HG23 THR 34 2HG2 THR 34 4.373 4.925 5.661
249 H HIS 35 H HIS 35 5.992 5.355 2.222
250 HA HIS 35 HA HIS 35 8.371 4.497 3.266
251 HB2 HIS 35 1HB HIS 35 7.166 4.316 0.537
252 HB3 HIS 35 2HB HIS 35 8.821 3.760 0.770
253 HD1 HIS 35 HD1 HIS 35 8.790 2.199 3.261
254 HD2 HIS 35 HD2 HIS 35 5.568 2.151 0.638
255 HE1 HIS 35 HE1 HIS 35 7.549 0.070 3.760
256 H THR 36 H THR 36 7.808 7.341 1.447
257 HA THR 36 HA THR 36 10.652 7.684 0.837
258 HB THR 36 HB THR 36 9.911 9.715 -0.409
259 HG1 THR 36 HG1 THR 36 7.930 10.393 -0.149
260 HG21 THR 36 3HG2 THR 36 8.792 8.487 -2.242
261 HG22 THR 36 1HG2 THR 36 8.561 7.118 -1.156
262 HG23 THR 36 2HG2 THR 36 10.190 7.623 -1.604
263 H GLY 37 H GLY 37 10.060 7.737 3.546
264 HA2 GLY 37 1HA GLY 37 10.730 10.528 4.165
265 HA3 GLY 37 2HA GLY 37 9.404 9.770 5.034
266 H GLU 38 H GLU 38 9.839 8.142 6.547
267 HA GLU 38 HA GLU 38 12.364 8.407 7.860
268 HB2 GLU 38 1HB GLU 38 9.934 6.699 8.364
269 HB3 GLU 38 2HB GLU 38 11.388 6.560 9.343
270 HG2 GLU 38 1HG GLU 38 11.179 8.789 10.125
271 HG3 GLU 38 2HG GLU 38 9.908 9.145 8.957
272 H SER 39 H SER 39 14.133 7.479 7.068
273 HA SER 39 HA SER 39 13.914 4.792 5.889
274 HB2 SER 39 1HB SER 39 14.835 6.630 4.446
275 HB3 SER 39 2HB SER 39 16.188 6.764 5.569
276 HG SER 39 HG SER 39 16.643 5.398 3.770
277 H GLY 40 H GLY 40 13.934 3.750 7.945
278 HA2 GLY 40 1HA GLY 40 16.176 4.111 9.722
279 HA3 GLY 40 2HA GLY 40 14.892 2.922 9.886
280 HA PRO 41 HA PRO 41 17.404 -0.309 8.319
281 HB2 PRO 41 1HB PRO 41 15.940 -1.496 6.366
282 HB3 PRO 41 2HB PRO 41 15.538 -1.628 8.082
283 HG2 PRO 41 1HG PRO 41 14.369 0.174 5.996
284 HG3 PRO 41 2HG PRO 41 13.545 -0.750 7.265
285 HD2 PRO 41 1HD PRO 41 14.053 1.900 7.489
286 HD3 PRO 41 2HD PRO 41 14.029 0.810 8.891
287 H SER 42 H SER 42 16.362 2.090 6.066
288 HA SER 42 HA SER 42 18.560 1.342 4.248
289 HB2 SER 42 1HB SER 42 16.089 1.275 3.413
290 HB3 SER 42 2HB SER 42 16.235 3.032 3.371
291 HG SER 42 HG SER 42 16.801 1.884 1.383
292 H SER 43 H SER 43 19.277 3.336 2.913
293 HA SER 43 HA SER 43 19.542 5.631 4.745
294 HB2 SER 43 1HB SER 43 21.798 5.988 3.777
295 HB3 SER 43 2HB SER 43 21.657 4.428 4.587
296 HG SER 43 HG SER 43 22.188 4.982 1.981
297 H GLY 44 H GLY 44 19.667 4.655 1.324
298 HA2 GLY 44 1HA GLY 44 17.879 6.234 0.164
299 HA3 GLY 44 2HA GLY 44 19.147 7.405 0.498
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -16.014 -26.580 -19.299
2 HA2 GLY 1 1HA GLY 1 -15.106 -28.799 -19.119
3 HA3 GLY 1 2HA GLY 1 -14.445 -28.616 -20.737
4 H SER 2 H SER 2 -12.356 -28.146 -20.896
5 HA SER 2 HA SER 2 -10.806 -27.712 -18.520
6 HB2 SER 2 1HB SER 2 -10.106 -29.077 -20.568
7 HB3 SER 2 2HB SER 2 -9.783 -27.531 -21.353
8 HG SER 2 HG SER 2 -8.014 -27.365 -20.238
9 H SER 3 H SER 3 -10.686 -25.784 -17.589
10 HA SER 3 HA SER 3 -9.969 -23.467 -19.189
11 HB2 SER 3 1HB SER 3 -12.474 -23.488 -19.103
12 HB3 SER 3 2HB SER 3 -12.368 -23.361 -17.347
13 HG SER 3 HG SER 3 -11.464 -21.490 -19.276
14 H GLY 4 H GLY 4 -8.760 -21.978 -18.084
15 HA2 GLY 4 1HA GLY 4 -7.882 -22.806 -15.422
16 HA3 GLY 4 2HA GLY 4 -7.074 -21.649 -16.469
17 H SER 5 H SER 5 -8.469 -21.827 -13.607
18 HA SER 5 HA SER 5 -10.425 -19.853 -13.481
19 HB2 SER 5 1HB SER 5 -8.346 -20.484 -11.373
20 HB3 SER 5 2HB SER 5 -9.894 -19.684 -11.104
21 HG SER 5 HG SER 5 -10.009 -21.904 -10.606
22 H SER 6 H SER 6 -10.330 -17.650 -12.809
23 HA SER 6 HA SER 6 -7.967 -16.278 -13.852
24 HB2 SER 6 1HB SER 6 -10.081 -15.565 -14.803
25 HB3 SER 6 2HB SER 6 -10.742 -15.262 -13.196
26 HG SER 6 HG SER 6 -9.986 -13.326 -13.470
27 H GLY 7 H GLY 7 -6.546 -15.284 -12.574
28 HA2 GLY 7 1HA GLY 7 -7.366 -14.648 -9.809
29 HA3 GLY 7 2HA GLY 7 -5.841 -15.455 -10.144
30 H THR 8 H THR 8 -7.462 -12.471 -9.889
31 HA THR 8 HA THR 8 -5.136 -11.041 -10.992
32 HB THR 8 HB THR 8 -7.895 -9.926 -10.457
33 HG1 THR 8 HG1 THR 8 -7.760 -9.907 -12.919
34 HG21 THR 8 3HG2 THR 8 -6.496 -8.415 -12.368
35 HG22 THR 8 1HG2 THR 8 -5.360 -8.709 -11.052
36 HG23 THR 8 2HG2 THR 8 -6.913 -7.943 -10.721
37 H GLY 9 H GLY 9 -3.744 -10.811 -9.318
38 HA2 GLY 9 1HA GLY 9 -2.885 -9.799 -7.431
39 HA3 GLY 9 2HA GLY 9 -4.418 -8.960 -7.244
40 H MET 10 H MET 10 -2.726 -10.225 -5.216
41 HA MET 10 HA MET 10 -4.579 -12.305 -4.258
42 HB2 MET 10 1HB MET 10 -1.631 -11.903 -3.864
43 HB3 MET 10 2HB MET 10 -2.564 -12.835 -2.701
44 HG2 MET 10 1HG MET 10 -2.950 -14.545 -4.166
45 HG3 MET 10 2HG MET 10 -2.811 -13.507 -5.584
46 HE1 MET 10 3HE MET 10 -0.674 -16.581 -5.391
47 HE2 MET 10 1HE MET 10 -1.925 -15.702 -6.271
48 HE3 MET 10 2HE MET 10 -0.239 -15.573 -6.773
49 H LYS 11 H LYS 11 -2.471 -9.678 -3.094
50 HA LYS 11 HA LYS 11 -3.955 -9.500 -0.612
51 HB2 LYS 11 1HB LYS 11 -1.462 -8.316 -1.709
52 HB3 LYS 11 2HB LYS 11 -2.320 -7.376 -0.495
53 HG2 LYS 11 1HG LYS 11 -0.963 -8.571 0.869
54 HG3 LYS 11 2HG LYS 11 -2.315 -9.702 0.773
55 HD2 LYS 11 1HD LYS 11 -0.389 -11.005 0.406
56 HD3 LYS 11 2HD LYS 11 -1.091 -10.754 -1.195
57 HE2 LYS 11 1HE LYS 11 0.496 -8.938 -1.603
58 HE3 LYS 11 2HE LYS 11 1.190 -9.179 -0.001
59 HZ1 LYS 11 3HZ LYS 11 1.136 -11.611 -1.469
60 HZ2 LYS 11 1HZ LYS 11 2.453 -10.814 -0.766
61 HZ3 LYS 11 2HZ LYS 11 1.960 -10.413 -2.334
62 HA PRO 12 HA PRO 12 -6.847 -6.510 -2.107
63 HB2 PRO 12 1HB PRO 12 -7.769 -5.667 0.303
64 HB3 PRO 12 2HB PRO 12 -8.217 -7.223 -0.406
65 HG2 PRO 12 1HG PRO 12 -6.160 -6.614 1.682
66 HG3 PRO 12 2HG PRO 12 -7.335 -7.940 1.623
67 HD2 PRO 12 1HD PRO 12 -4.736 -8.265 0.936
68 HD3 PRO 12 2HD PRO 12 -6.049 -9.184 0.170
69 H TYR 13 H TYR 13 -6.167 -4.963 0.921
70 HA TYR 13 HA TYR 13 -5.007 -2.690 -0.539
71 HB2 TYR 13 1HB TYR 13 -5.956 -2.397 2.268
72 HB3 TYR 13 2HB TYR 13 -6.039 -1.258 0.929
73 HD1 TYR 13 HD2 TYR 13 -7.550 -4.388 2.246
74 HD2 TYR 13 HD1 TYR 13 -8.016 -1.018 -0.310
75 HE1 TYR 13 HE2 TYR 13 -9.907 -4.993 1.888
76 HE2 TYR 13 HE1 TYR 13 -10.375 -1.613 -0.674
77 HH TYR 13 HH TYR 13 -12.025 -3.002 -0.156
78 H VAL 14 H VAL 14 -3.756 -5.217 0.757
79 HA VAL 14 HA VAL 14 -2.061 -4.178 2.826
80 HB VAL 14 HB VAL 14 -1.627 -6.711 1.246
81 HG11 VAL 14 1HG1 VAL 14 -0.013 -5.534 3.078
82 HG12 VAL 14 2HG1 VAL 14 -0.993 -6.576 4.111
83 HG13 VAL 14 3HG1 VAL 14 -0.075 -7.270 2.774
84 HG21 VAL 14 3HG2 VAL 14 -2.962 -6.935 3.843
85 HG22 VAL 14 1HG2 VAL 14 -3.930 -6.151 2.594
86 HG23 VAL 14 2HG2 VAL 14 -3.286 -7.770 2.325
87 H CYS 15 H CYS 15 0.119 -3.679 2.720
88 HA CYS 15 HA CYS 15 1.017 -2.567 0.242
89 HB2 CYS 15 1HB CYS 15 1.497 -1.862 2.752
90 HB3 CYS 15 2HB CYS 15 2.875 -2.940 2.549
91 H ASN 16 H ASN 16 1.814 -3.761 -1.351
92 HA ASN 16 HA ASN 16 2.858 -6.387 -0.952
93 HB2 ASN 16 1HB ASN 16 2.625 -4.558 -3.328
94 HB3 ASN 16 2HB ASN 16 3.516 -6.073 -3.440
95 HD21 ASN 16 1HD2 ASN 16 0.386 -4.637 -2.812
96 HD22 ASN 16 2HD2 ASN 16 -0.545 -6.046 -3.175
97 H GLU 17 H GLU 17 4.194 -3.550 -0.175
98 HA GLU 17 HA GLU 17 6.894 -4.192 -1.110
99 HB2 GLU 17 1HB GLU 17 5.896 -1.740 0.350
100 HB3 GLU 17 2HB GLU 17 7.505 -1.959 -0.325
101 HG2 GLU 17 1HG GLU 17 6.114 -2.375 -2.538
102 HG3 GLU 17 2HG GLU 17 4.936 -1.382 -1.682
103 H CYS 18 H CYS 18 5.187 -3.389 1.909
104 HA CYS 18 HA CYS 18 7.345 -4.741 3.390
105 HB2 CYS 18 1HB CYS 18 6.543 -3.413 5.357
106 HB3 CYS 18 2HB CYS 18 7.196 -2.433 4.048
107 H GLY 19 H GLY 19 3.884 -4.502 2.902
108 HA2 GLY 19 1HA GLY 19 2.585 -6.548 3.099
109 HA3 GLY 19 2HA GLY 19 3.576 -6.973 4.487
110 H LYS 20 H LYS 20 2.808 -3.695 4.470
111 HA LYS 20 HA LYS 20 1.289 -3.854 6.839
112 HB2 LYS 20 1HB LYS 20 2.655 -1.875 5.679
113 HB3 LYS 20 2HB LYS 20 1.049 -1.447 5.103
114 HG2 LYS 20 1HG LYS 20 1.865 -1.784 7.983
115 HG3 LYS 20 2HG LYS 20 1.593 -0.254 7.145
116 HD2 LYS 20 1HD LYS 20 -0.757 -1.244 6.647
117 HD3 LYS 20 2HD LYS 20 -0.389 -2.335 7.984
118 HE2 LYS 20 1HE LYS 20 0.202 -0.190 9.282
119 HE3 LYS 20 2HE LYS 20 -0.681 0.650 8.008
120 HZ1 LYS 20 3HZ LYS 20 -1.685 -1.187 10.063
121 HZ2 LYS 20 1HZ LYS 20 -2.490 -1.119 8.577
122 HZ3 LYS 20 2HZ LYS 20 -2.334 0.277 9.519
123 H ALA 21 H ALA 21 -0.711 -4.605 7.013
124 HA ALA 21 HA ALA 21 -2.522 -4.523 4.738
125 HB1 ALA 21 3HB ALA 21 -3.948 -5.977 6.043
126 HB2 ALA 21 1HB ALA 21 -2.293 -6.587 6.063
127 HB3 ALA 21 2HB ALA 21 -2.936 -5.736 7.467
128 H PHE 22 H PHE 22 -4.431 -3.403 4.651
129 HA PHE 22 HA PHE 22 -5.048 -1.614 6.902
130 HB2 PHE 22 1HB PHE 22 -5.108 -0.824 3.982
131 HB3 PHE 22 2HB PHE 22 -5.527 0.206 5.346
132 HD1 PHE 22 HD1 PHE 22 -2.749 -1.589 3.705
133 HD2 PHE 22 HD2 PHE 22 -3.873 1.372 6.548
134 HE1 PHE 22 HE1 PHE 22 -0.405 -0.855 3.862
135 HE2 PHE 22 HE2 PHE 22 -1.532 2.111 6.709
136 HZ PHE 22 HZ PHE 22 0.206 0.998 5.364
137 H ARG 23 H ARG 23 -7.276 -0.410 6.111
138 HA ARG 23 HA ARG 23 -9.151 -2.637 5.810
139 HB2 ARG 23 1HB ARG 23 -9.207 -0.833 7.701
140 HB3 ARG 23 2HB ARG 23 -9.970 0.169 6.473
141 HG2 ARG 23 1HG ARG 23 -11.760 -1.432 6.223
142 HG3 ARG 23 2HG ARG 23 -10.972 -2.527 7.362
143 HD2 ARG 23 1HD ARG 23 -11.655 0.269 8.178
144 HD3 ARG 23 2HD ARG 23 -12.895 -0.984 8.181
145 HE ARG 23 HE ARG 23 -10.733 -0.687 10.041
146 HH11 ARG 23 1HH1 ARG 23 -12.927 -2.951 8.563
147 HH12 ARG 23 2HH1 ARG 23 -12.838 -4.088 9.868
148 HH21 ARG 23 1HH2 ARG 23 -10.608 -2.176 11.764
149 HH22 ARG 23 2HH2 ARG 23 -11.519 -3.646 11.688
150 H SER 24 H SER 24 -8.292 0.465 4.378
151 HA SER 24 HA SER 24 -9.898 -0.260 2.023
152 HB2 SER 24 1HB SER 24 -10.618 2.035 1.742
153 HB3 SER 24 2HB SER 24 -11.053 1.501 3.365
154 HG SER 24 HG SER 24 -9.264 3.438 2.559
155 H LYS 25 H LYS 25 -9.240 1.097 0.079
156 HA LYS 25 HA LYS 25 -6.444 0.770 -0.336
157 HB2 LYS 25 1HB LYS 25 -8.750 1.733 -1.961
158 HB3 LYS 25 2HB LYS 25 -7.129 2.146 -2.505
159 HG2 LYS 25 1HG LYS 25 -6.632 -0.362 -2.268
160 HG3 LYS 25 2HG LYS 25 -8.386 -0.556 -2.221
161 HD2 LYS 25 1HD LYS 25 -6.901 0.884 -4.415
162 HD3 LYS 25 2HD LYS 25 -7.380 -0.813 -4.494
163 HE2 LYS 25 1HE LYS 25 -9.742 -0.064 -4.106
164 HE3 LYS 25 2HE LYS 25 -9.178 1.597 -4.287
165 HZ1 LYS 25 3HZ LYS 25 -9.943 -0.141 -6.296
166 HZ2 LYS 25 1HZ LYS 25 -8.264 0.015 -6.445
167 HZ3 LYS 25 2HZ LYS 25 -9.248 1.391 -6.477
168 H SER 26 H SER 26 -8.522 3.507 0.365
169 HA SER 26 HA SER 26 -6.747 5.581 -0.258
170 HB2 SER 26 1HB SER 26 -9.286 5.588 0.486
171 HB3 SER 26 2HB SER 26 -8.588 5.851 2.084
172 HG SER 26 HG SER 26 -9.051 7.677 0.333
173 H TYR 27 H TYR 27 -7.017 3.525 2.563
174 HA TYR 27 HA TYR 27 -5.260 5.064 4.209
175 HB2 TYR 27 1HB TYR 27 -7.048 3.181 4.798
176 HB3 TYR 27 2HB TYR 27 -5.630 2.145 4.684
177 HD1 TYR 27 HD1 TYR 27 -3.482 3.529 5.876
178 HD2 TYR 27 HD2 TYR 27 -7.587 3.631 6.989
179 HE1 TYR 27 HE1 TYR 27 -2.839 4.151 8.167
180 HE2 TYR 27 HE2 TYR 27 -6.955 4.254 9.283
181 HH TYR 27 HH TYR 27 -5.132 5.225 10.492
182 H LEU 28 H LEU 28 -4.891 2.226 2.134
183 HA LEU 28 HA LEU 28 -2.150 1.790 2.795
184 HB2 LEU 28 1HB LEU 28 -3.281 -0.089 1.999
185 HB3 LEU 28 2HB LEU 28 -3.983 0.794 0.645
186 HG LEU 28 HG LEU 28 -1.617 0.935 -0.286
187 HD11 LEU 28 1HD1 LEU 28 -0.830 0.051 2.121
188 HD12 LEU 28 2HD1 LEU 28 0.102 -0.192 0.643
189 HD13 LEU 28 3HD1 LEU 28 -0.931 -1.483 1.256
190 HD21 LEU 28 3HD2 LEU 28 -3.505 -1.273 -0.244
191 HD22 LEU 28 1HD2 LEU 28 -1.861 -1.794 -0.610
192 HD23 LEU 28 2HD2 LEU 28 -2.633 -0.554 -1.598
193 H ILE 29 H ILE 29 -3.849 3.596 0.310
194 HA ILE 29 HA ILE 29 -1.674 4.104 -1.396
195 HB ILE 29 HB ILE 29 -4.194 5.674 -0.877
196 HG12 ILE 29 1HG1 ILE 29 -3.482 4.259 -3.419
197 HG13 ILE 29 2HG1 ILE 29 -4.065 3.324 -2.046
198 HG21 ILE 29 1HG2 ILE 29 -3.152 6.415 -3.364
199 HG22 ILE 29 2HG2 ILE 29 -3.290 7.414 -1.918
200 HG23 ILE 29 3HG2 ILE 29 -1.804 6.517 -2.231
201 HD11 ILE 29 3HD1 ILE 29 -5.986 3.739 -3.252
202 HD12 ILE 29 1HD1 ILE 29 -6.017 5.008 -2.028
203 HD13 ILE 29 2HD1 ILE 29 -5.492 5.380 -3.670
204 H ILE 30 H ILE 30 -2.926 5.892 1.397
205 HA ILE 30 HA ILE 30 -1.065 8.035 1.182
206 HB ILE 30 HB ILE 30 -1.796 8.682 3.413
207 HG12 ILE 30 1HG1 ILE 30 -3.655 6.345 3.560
208 HG13 ILE 30 2HG1 ILE 30 -1.981 6.126 4.059
209 HG21 ILE 30 1HG2 ILE 30 -3.657 9.534 2.542
210 HG22 ILE 30 2HG2 ILE 30 -3.386 8.496 1.144
211 HG23 ILE 30 3HG2 ILE 30 -4.422 7.948 2.461
212 HD11 ILE 30 3HD1 ILE 30 -2.341 7.142 5.994
213 HD12 ILE 30 1HD1 ILE 30 -3.140 8.507 5.214
214 HD13 ILE 30 2HD1 ILE 30 -4.061 7.057 5.613
215 H HIS 31 H HIS 31 -0.747 4.834 2.197
216 HA HIS 31 HA HIS 31 1.463 5.396 4.021
217 HB2 HIS 31 1HB HIS 31 0.201 3.682 4.932
218 HB3 HIS 31 2HB HIS 31 -0.163 2.973 3.362
219 HD1 HIS 31 HD1 HIS 31 1.919 2.495 6.257
220 HD2 HIS 31 HD2 HIS 31 2.249 1.673 2.198
221 HE1 HIS 31 HE1 HIS 31 3.736 0.767 6.067
222 H THR 32 H THR 32 0.872 3.445 1.097
223 HA THR 32 HA THR 32 3.343 2.505 0.524
224 HB THR 32 HB THR 32 1.555 3.781 -1.553
225 HG1 THR 32 HG1 THR 32 1.079 1.723 0.087
226 HG21 THR 32 3HG2 THR 32 3.098 1.325 -2.111
227 HG22 THR 32 1HG2 THR 32 4.038 2.807 -1.940
228 HG23 THR 32 2HG2 THR 32 2.757 2.710 -3.148
229 H ARG 33 H ARG 33 2.312 5.829 0.361
230 HA ARG 33 HA ARG 33 4.394 6.855 -1.233
231 HB2 ARG 33 1HB ARG 33 3.845 9.029 -0.011
232 HB3 ARG 33 2HB ARG 33 2.540 8.267 -0.909
233 HG2 ARG 33 1HG ARG 33 1.516 7.472 1.067
234 HG3 ARG 33 2HG ARG 33 2.935 7.865 2.041
235 HD2 ARG 33 1HD ARG 33 1.246 9.900 0.595
236 HD3 ARG 33 2HD ARG 33 1.044 9.469 2.293
237 HE ARG 33 HE ARG 33 3.721 10.228 1.763
238 HH11 ARG 33 1HH1 ARG 33 0.521 11.534 2.181
239 HH12 ARG 33 2HH1 ARG 33 1.081 13.072 2.749
240 HH21 ARG 33 1HH2 ARG 33 4.471 12.249 2.510
241 HH22 ARG 33 2HH2 ARG 33 3.328 13.478 2.935
242 H THR 34 H THR 34 4.101 6.384 2.261
243 HA THR 34 HA THR 34 6.291 7.686 3.227
244 HB THR 34 HB THR 34 4.628 6.264 4.532
245 HG1 THR 34 HG1 THR 34 7.334 5.817 5.275
246 HG21 THR 34 3HG2 THR 34 4.924 3.991 4.786
247 HG22 THR 34 1HG2 THR 34 6.620 4.049 4.308
248 HG23 THR 34 2HG2 THR 34 5.355 4.196 3.088
249 H HIS 35 H HIS 35 6.262 4.951 1.127
250 HA HIS 35 HA HIS 35 8.984 4.163 1.662
251 HB2 HIS 35 1HB HIS 35 7.067 3.368 -0.538
252 HB3 HIS 35 2HB HIS 35 8.658 2.653 -0.293
253 HD1 HIS 35 HD1 HIS 35 8.861 0.840 1.450
254 HD2 HIS 35 HD2 HIS 35 5.169 2.744 1.522
255 HE1 HIS 35 HE1 HIS 35 7.432 -0.523 3.006
256 H THR 36 H THR 36 8.089 6.920 0.569
257 HA THR 36 HA THR 36 9.644 7.007 -1.902
258 HB THR 36 HB THR 36 7.866 9.026 -0.543
259 HG1 THR 36 HG1 THR 36 6.865 7.430 -1.860
260 HG21 THR 36 3HG2 THR 36 9.689 9.415 -2.915
261 HG22 THR 36 1HG2 THR 36 9.708 10.305 -1.394
262 HG23 THR 36 2HG2 THR 36 8.356 10.496 -2.510
263 H GLY 37 H GLY 37 9.651 8.324 1.380
264 HA2 GLY 37 1HA GLY 37 12.409 9.270 0.893
265 HA3 GLY 37 2HA GLY 37 11.283 10.098 1.959
266 H GLU 38 H GLU 38 13.039 7.053 1.516
267 HA GLU 38 HA GLU 38 12.713 6.424 4.346
268 HB2 GLU 38 1HB GLU 38 12.569 4.757 2.330
269 HB3 GLU 38 2HB GLU 38 14.323 4.764 2.441
270 HG2 GLU 38 1HG GLU 38 12.387 3.976 4.605
271 HG3 GLU 38 2HG GLU 38 13.431 2.902 3.674
272 H SER 39 H SER 39 14.199 6.873 5.829
273 HA SER 39 HA SER 39 16.293 8.512 5.661
274 HB2 SER 39 1HB SER 39 15.419 7.250 7.721
275 HB3 SER 39 2HB SER 39 16.587 5.998 7.300
276 HG SER 39 HG SER 39 17.104 8.706 7.956
277 H GLY 40 H GLY 40 16.759 4.976 5.425
278 HA2 GLY 40 1HA GLY 40 19.325 5.470 4.087
279 HA3 GLY 40 2HA GLY 40 18.814 3.949 4.803
280 HA PRO 41 HA PRO 41 18.156 4.049 0.111
281 HB2 PRO 41 1HB PRO 41 20.081 2.254 -0.553
282 HB3 PRO 41 2HB PRO 41 20.378 3.995 -0.468
283 HG2 PRO 41 1HG PRO 41 20.987 1.868 1.549
284 HG3 PRO 41 2HG PRO 41 21.990 3.234 1.026
285 HD2 PRO 41 1HD PRO 41 20.568 3.268 3.331
286 HD3 PRO 41 2HD PRO 41 20.872 4.733 2.375
287 H SER 42 H SER 42 17.387 2.254 -1.181
288 HA SER 42 HA SER 42 15.818 0.430 0.293
289 HB2 SER 42 1HB SER 42 15.202 -0.512 -1.882
290 HB3 SER 42 2HB SER 42 15.192 1.250 -1.952
291 HG SER 42 HG SER 42 17.430 0.981 -2.777
292 H SER 43 H SER 43 16.646 -1.191 1.437
293 HA SER 43 HA SER 43 18.935 -2.679 0.349
294 HB2 SER 43 1HB SER 43 19.215 -3.526 2.673
295 HB3 SER 43 2HB SER 43 19.323 -1.769 2.569
296 HG SER 43 HG SER 43 17.640 -1.623 3.811
297 H GLY 44 H GLY 44 18.948 -5.058 0.889
298 HA2 GLY 44 1HA GLY 44 17.918 -7.139 1.000
299 HA3 GLY 44 2HA GLY 44 16.369 -6.331 1.185
Start of MODEL 10
1 H1 GLY 1 H GLY 1 12.006 -31.321 -6.628
2 HA2 GLY 1 1HA GLY 1 12.732 -28.571 -6.875
3 HA3 GLY 1 2HA GLY 1 11.945 -29.156 -8.333
4 H SER 2 H SER 2 11.508 -27.986 -5.173
5 HA SER 2 HA SER 2 8.780 -28.946 -4.922
6 HB2 SER 2 1HB SER 2 10.689 -27.461 -3.180
7 HB3 SER 2 2HB SER 2 8.966 -27.233 -2.885
8 HG SER 2 HG SER 2 9.176 -29.020 -1.792
9 H SER 3 H SER 3 9.140 -27.441 -7.226
10 HA SER 3 HA SER 3 7.600 -25.010 -6.591
11 HB2 SER 3 1HB SER 3 8.653 -23.909 -8.519
12 HB3 SER 3 2HB SER 3 9.868 -24.427 -7.351
13 HG SER 3 HG SER 3 9.273 -25.468 -9.889
14 H GLY 4 H GLY 4 5.724 -24.729 -7.656
15 HA2 GLY 4 1HA GLY 4 5.013 -25.453 -10.194
16 HA3 GLY 4 2HA GLY 4 4.713 -26.900 -9.243
17 H SER 5 H SER 5 3.961 -23.438 -9.408
18 HA SER 5 HA SER 5 1.189 -23.854 -9.056
19 HB2 SER 5 1HB SER 5 2.304 -24.199 -6.684
20 HB3 SER 5 2HB SER 5 2.309 -22.436 -6.672
21 HG SER 5 HG SER 5 -0.051 -22.925 -7.435
22 H SER 6 H SER 6 0.649 -22.378 -10.538
23 HA SER 6 HA SER 6 1.603 -19.620 -10.135
24 HB2 SER 6 1HB SER 6 2.722 -20.339 -12.097
25 HB3 SER 6 2HB SER 6 1.288 -21.164 -12.707
26 HG SER 6 HG SER 6 0.320 -19.124 -12.996
27 H GLY 7 H GLY 7 -0.288 -19.154 -8.937
28 HA2 GLY 7 1HA GLY 7 -2.343 -17.905 -10.217
29 HA3 GLY 7 2HA GLY 7 -2.894 -19.568 -10.086
30 H THR 8 H THR 8 -0.950 -17.732 -7.770
31 HA THR 8 HA THR 8 -3.178 -17.316 -5.993
32 HB THR 8 HB THR 8 -2.618 -19.708 -5.581
33 HG1 THR 8 HG1 THR 8 -3.491 -18.515 -3.873
34 HG21 THR 8 3HG2 THR 8 -0.077 -19.150 -5.970
35 HG22 THR 8 1HG2 THR 8 -0.556 -20.433 -4.861
36 HG23 THR 8 2HG2 THR 8 -0.098 -18.850 -4.233
37 H GLY 9 H GLY 9 -2.825 -15.426 -5.037
38 HA2 GLY 9 1HA GLY 9 -1.027 -14.487 -3.393
39 HA3 GLY 9 2HA GLY 9 -0.070 -14.431 -4.866
40 H MET 10 H MET 10 -3.185 -13.342 -3.538
41 HA MET 10 HA MET 10 -2.747 -10.760 -4.850
42 HB2 MET 10 1HB MET 10 -5.198 -12.491 -5.099
43 HB3 MET 10 2HB MET 10 -5.262 -10.752 -5.355
44 HG2 MET 10 1HG MET 10 -3.437 -11.073 -7.074
45 HG3 MET 10 2HG MET 10 -3.743 -12.802 -6.933
46 HE1 MET 10 3HE MET 10 -4.568 -13.136 -9.616
47 HE2 MET 10 1HE MET 10 -5.178 -14.015 -8.214
48 HE3 MET 10 2HE MET 10 -6.300 -13.419 -9.437
49 H LYS 11 H LYS 11 -2.736 -9.286 -3.296
50 HA LYS 11 HA LYS 11 -4.357 -9.730 -0.891
51 HB2 LYS 11 1HB LYS 11 -1.822 -8.288 -1.461
52 HB3 LYS 11 2HB LYS 11 -2.864 -7.609 -0.218
53 HG2 LYS 11 1HG LYS 11 -1.538 -8.979 1.038
54 HG3 LYS 11 2HG LYS 11 -2.880 -10.069 0.681
55 HD2 LYS 11 1HD LYS 11 -0.936 -11.327 0.264
56 HD3 LYS 11 2HD LYS 11 -1.514 -10.833 -1.329
57 HE2 LYS 11 1HE LYS 11 0.688 -10.293 -1.554
58 HE3 LYS 11 2HE LYS 11 0.097 -8.782 -0.864
59 HZ1 LYS 11 3HZ LYS 11 1.957 -10.653 0.215
60 HZ2 LYS 11 1HZ LYS 11 0.691 -10.352 1.298
61 HZ3 LYS 11 2HZ LYS 11 1.621 -9.069 0.706
62 HA PRO 12 HA PRO 12 -7.194 -6.534 -1.911
63 HB2 PRO 12 1HB PRO 12 -7.870 -5.665 0.570
64 HB3 PRO 12 2HB PRO 12 -8.413 -7.214 -0.086
65 HG2 PRO 12 1HG PRO 12 -6.158 -6.641 1.797
66 HG3 PRO 12 2HG PRO 12 -7.360 -7.943 1.855
67 HD2 PRO 12 1HD PRO 12 -4.844 -8.324 0.930
68 HD3 PRO 12 2HD PRO 12 -6.241 -9.217 0.294
69 H TYR 13 H TYR 13 -6.194 -4.997 1.034
70 HA TYR 13 HA TYR 13 -5.067 -2.781 -0.544
71 HB2 TYR 13 1HB TYR 13 -5.906 -2.350 2.275
72 HB3 TYR 13 2HB TYR 13 -6.028 -1.274 0.888
73 HD1 TYR 13 HD2 TYR 13 -7.526 -4.331 2.387
74 HD2 TYR 13 HD1 TYR 13 -8.061 -1.030 -0.245
75 HE1 TYR 13 HE2 TYR 13 -9.907 -4.905 2.159
76 HE2 TYR 13 HE1 TYR 13 -10.443 -1.595 -0.479
77 HH TYR 13 HH TYR 13 -11.942 -3.409 -0.197
78 H VAL 14 H VAL 14 -3.864 -5.306 0.813
79 HA VAL 14 HA VAL 14 -2.079 -4.264 2.797
80 HB VAL 14 HB VAL 14 -1.799 -6.849 1.263
81 HG11 VAL 14 1HG1 VAL 14 -0.040 -5.664 2.975
82 HG12 VAL 14 2HG1 VAL 14 -0.966 -6.696 4.067
83 HG13 VAL 14 3HG1 VAL 14 -0.144 -7.399 2.673
84 HG21 VAL 14 3HG2 VAL 14 -2.889 -7.205 3.879
85 HG22 VAL 14 1HG2 VAL 14 -3.894 -6.065 2.983
86 HG23 VAL 14 2HG2 VAL 14 -3.572 -7.668 2.320
87 H CYS 15 H CYS 15 -0.024 -3.550 2.588
88 HA CYS 15 HA CYS 15 0.872 -2.556 0.120
89 HB2 CYS 15 1HB CYS 15 1.519 -1.971 2.624
90 HB3 CYS 15 2HB CYS 15 2.831 -3.101 2.305
91 H ASN 16 H ASN 16 1.738 -3.584 -1.545
92 HA ASN 16 HA ASN 16 2.672 -6.308 -1.263
93 HB2 ASN 16 1HB ASN 16 2.451 -4.509 -3.686
94 HB3 ASN 16 2HB ASN 16 2.927 -6.204 -3.738
95 HD21 ASN 16 1HD2 ASN 16 0.404 -4.115 -4.064
96 HD22 ASN 16 2HD2 ASN 16 -0.908 -5.214 -3.827
97 H GLU 17 H GLU 17 4.207 -4.144 -0.010
98 HA GLU 17 HA GLU 17 6.779 -4.673 -1.332
99 HB2 GLU 17 1HB GLU 17 6.072 -2.034 -0.047
100 HB3 GLU 17 2HB GLU 17 7.529 -2.424 -0.951
101 HG2 GLU 17 1HG GLU 17 4.912 -2.699 -2.325
102 HG3 GLU 17 2HG GLU 17 5.539 -1.078 -2.030
103 H CYS 18 H CYS 18 5.106 -3.722 1.636
104 HA CYS 18 HA CYS 18 7.350 -4.851 3.178
105 HB2 CYS 18 1HB CYS 18 6.641 -3.383 5.033
106 HB3 CYS 18 2HB CYS 18 7.091 -2.466 3.600
107 H GLY 19 H GLY 19 3.835 -4.577 2.933
108 HA2 GLY 19 1HA GLY 19 2.583 -6.671 3.254
109 HA3 GLY 19 2HA GLY 19 3.633 -6.991 4.626
110 H LYS 20 H LYS 20 2.704 -3.732 4.293
111 HA LYS 20 HA LYS 20 1.289 -3.765 6.764
112 HB2 LYS 20 1HB LYS 20 2.671 -1.854 5.688
113 HB3 LYS 20 2HB LYS 20 1.196 -1.490 4.803
114 HG2 LYS 20 1HG LYS 20 0.900 -0.112 6.577
115 HG3 LYS 20 2HG LYS 20 0.157 -1.570 7.238
116 HD2 LYS 20 1HD LYS 20 2.066 -2.082 8.524
117 HD3 LYS 20 2HD LYS 20 3.069 -0.934 7.634
118 HE2 LYS 20 1HE LYS 20 0.770 -0.236 9.459
119 HE3 LYS 20 2HE LYS 20 2.482 -0.084 9.851
120 HZ1 LYS 20 3HZ LYS 20 0.865 1.801 8.633
121 HZ2 LYS 20 1HZ LYS 20 1.915 1.252 7.424
122 HZ3 LYS 20 2HZ LYS 20 2.539 1.883 8.864
123 H ALA 21 H ALA 21 -0.688 -4.582 6.960
124 HA ALA 21 HA ALA 21 -2.545 -4.511 4.720
125 HB1 ALA 21 3HB ALA 21 -3.490 -5.616 7.268
126 HB2 ALA 21 1HB ALA 21 -3.533 -6.302 5.643
127 HB3 ALA 21 2HB ALA 21 -2.058 -6.404 6.605
128 H PHE 22 H PHE 22 -4.183 -3.121 4.524
129 HA PHE 22 HA PHE 22 -4.858 -1.442 6.851
130 HB2 PHE 22 1HB PHE 22 -5.020 -0.662 3.933
131 HB3 PHE 22 2HB PHE 22 -5.350 0.377 5.315
132 HD1 PHE 22 HD1 PHE 22 -2.698 -1.456 3.520
133 HD2 PHE 22 HD2 PHE 22 -3.611 1.492 6.452
134 HE1 PHE 22 HE1 PHE 22 -0.336 -0.769 3.560
135 HE2 PHE 22 HE2 PHE 22 -1.251 2.185 6.496
136 HZ PHE 22 HZ PHE 22 0.391 1.055 5.048
137 H ARG 23 H ARG 23 -7.106 -0.303 6.335
138 HA ARG 23 HA ARG 23 -8.992 -2.500 6.024
139 HB2 ARG 23 1HB ARG 23 -9.058 -0.840 7.951
140 HB3 ARG 23 2HB ARG 23 -9.625 0.348 6.785
141 HG2 ARG 23 1HG ARG 23 -11.559 -0.471 7.811
142 HG3 ARG 23 2HG ARG 23 -11.490 -1.295 6.252
143 HD2 ARG 23 1HD ARG 23 -10.172 -3.098 7.656
144 HD3 ARG 23 2HD ARG 23 -11.053 -2.365 8.996
145 HE ARG 23 HE ARG 23 -12.707 -3.074 6.749
146 HH11 ARG 23 1HH1 ARG 23 -11.276 -4.169 9.728
147 HH12 ARG 23 2HH1 ARG 23 -12.448 -5.420 9.983
148 HH21 ARG 23 1HH2 ARG 23 -14.256 -4.717 7.075
149 HH22 ARG 23 2HH2 ARG 23 -14.142 -5.731 8.473
150 H SER 24 H SER 24 -8.048 0.480 4.455
151 HA SER 24 HA SER 24 -9.783 -0.221 2.196
152 HB2 SER 24 1HB SER 24 -10.523 2.065 1.917
153 HB3 SER 24 2HB SER 24 -10.892 1.557 3.565
154 HG SER 24 HG SER 24 -9.942 3.617 3.549
155 H LYS 25 H LYS 25 -9.163 0.972 0.192
156 HA LYS 25 HA LYS 25 -6.408 0.666 -0.317
157 HB2 LYS 25 1HB LYS 25 -8.738 1.744 -1.843
158 HB3 LYS 25 2HB LYS 25 -7.118 2.065 -2.448
159 HG2 LYS 25 1HG LYS 25 -6.760 -0.471 -2.228
160 HG3 LYS 25 2HG LYS 25 -8.520 -0.559 -2.124
161 HD2 LYS 25 1HD LYS 25 -6.991 0.757 -4.368
162 HD3 LYS 25 2HD LYS 25 -7.656 -0.877 -4.426
163 HE2 LYS 25 1HE LYS 25 -9.895 -0.025 -4.185
164 HE3 LYS 25 2HE LYS 25 -9.288 1.611 -3.935
165 HZ1 LYS 25 3HZ LYS 25 -8.490 1.667 -6.177
166 HZ2 LYS 25 1HZ LYS 25 -10.118 1.208 -6.204
167 HZ3 LYS 25 2HZ LYS 25 -8.908 0.048 -6.430
168 H SER 26 H SER 26 -8.421 3.570 0.059
169 HA SER 26 HA SER 26 -6.487 5.497 -0.429
170 HB2 SER 26 1HB SER 26 -8.925 5.501 1.342
171 HB3 SER 26 2HB SER 26 -7.901 6.926 1.176
172 HG SER 26 HG SER 26 -9.061 5.555 -1.018
173 H TYR 27 H TYR 27 -7.020 3.525 2.395
174 HA TYR 27 HA TYR 27 -5.353 5.064 4.142
175 HB2 TYR 27 1HB TYR 27 -7.245 3.267 4.647
176 HB3 TYR 27 2HB TYR 27 -5.868 2.171 4.651
177 HD1 TYR 27 HD2 TYR 27 -6.115 5.686 5.866
178 HD2 TYR 27 HD1 TYR 27 -5.549 1.594 6.883
179 HE1 TYR 27 HE2 TYR 27 -5.611 6.338 8.183
180 HE2 TYR 27 HE1 TYR 27 -5.044 2.234 9.204
181 HH TYR 27 HH TYR 27 -5.009 3.904 10.687
182 H LEU 28 H LEU 28 -4.877 2.432 1.906
183 HA LEU 28 HA LEU 28 -2.212 1.840 2.864
184 HB2 LEU 28 1HB LEU 28 -3.225 -0.059 2.045
185 HB3 LEU 28 2HB LEU 28 -3.989 0.798 0.709
186 HG LEU 28 HG LEU 28 -1.572 1.025 -0.204
187 HD11 LEU 28 1HD1 LEU 28 -0.465 0.234 1.838
188 HD12 LEU 28 2HD1 LEU 28 -0.078 -0.772 0.443
189 HD13 LEU 28 3HD1 LEU 28 -1.242 -1.337 1.641
190 HD21 LEU 28 3HD2 LEU 28 -3.451 -1.252 -0.268
191 HD22 LEU 28 1HD2 LEU 28 -1.835 -1.547 -0.909
192 HD23 LEU 28 2HD2 LEU 28 -2.827 -0.254 -1.582
193 H ILE 29 H ILE 29 -3.716 3.609 0.229
194 HA ILE 29 HA ILE 29 -1.409 4.045 -1.324
195 HB ILE 29 HB ILE 29 -3.899 5.733 -1.064
196 HG12 ILE 29 1HG1 ILE 29 -3.259 4.035 -3.433
197 HG13 ILE 29 2HG1 ILE 29 -3.836 3.237 -1.974
198 HG21 ILE 29 1HG2 ILE 29 -2.928 7.260 -2.345
199 HG22 ILE 29 2HG2 ILE 29 -1.433 6.327 -2.339
200 HG23 ILE 29 3HG2 ILE 29 -2.645 6.041 -3.587
201 HD11 ILE 29 3HD1 ILE 29 -5.282 4.797 -3.945
202 HD12 ILE 29 1HD1 ILE 29 -5.874 3.635 -2.758
203 HD13 ILE 29 2HD1 ILE 29 -5.604 5.315 -2.291
204 H ILE 30 H ILE 30 -2.873 5.917 1.302
205 HA ILE 30 HA ILE 30 -1.123 8.119 1.174
206 HB ILE 30 HB ILE 30 -1.822 8.580 3.506
207 HG12 ILE 30 1HG1 ILE 30 -3.695 6.254 3.392
208 HG13 ILE 30 2HG1 ILE 30 -2.033 5.970 3.896
209 HG21 ILE 30 1HG2 ILE 30 -3.337 8.650 1.196
210 HG22 ILE 30 2HG2 ILE 30 -4.417 7.926 2.386
211 HG23 ILE 30 3HG2 ILE 30 -3.686 9.500 2.701
212 HD11 ILE 30 3HD1 ILE 30 -2.408 6.817 5.911
213 HD12 ILE 30 1HD1 ILE 30 -3.213 8.241 5.251
214 HD13 ILE 30 2HD1 ILE 30 -4.123 6.751 5.505
215 H HIS 31 H HIS 31 -0.654 4.920 2.275
216 HA HIS 31 HA HIS 31 1.624 5.637 3.954
217 HB2 HIS 31 1HB HIS 31 0.534 3.932 5.040
218 HB3 HIS 31 2HB HIS 31 -0.012 3.182 3.543
219 HD1 HIS 31 HD1 HIS 31 2.411 2.795 6.187
220 HD2 HIS 31 HD2 HIS 31 2.214 1.793 2.160
221 HE1 HIS 31 HE1 HIS 31 4.174 1.034 5.845
222 H THR 32 H THR 32 0.959 3.501 1.178
223 HA THR 32 HA THR 32 3.419 2.600 0.528
224 HB THR 32 HB THR 32 1.485 3.732 -1.504
225 HG1 THR 32 HG1 THR 32 0.530 1.705 -1.443
226 HG21 THR 32 3HG2 THR 32 2.683 1.452 -2.523
227 HG22 THR 32 1HG2 THR 32 4.003 2.296 -1.714
228 HG23 THR 32 2HG2 THR 32 3.066 3.116 -2.963
229 H ARG 33 H ARG 33 2.372 5.892 0.410
230 HA ARG 33 HA ARG 33 4.458 6.827 -1.322
231 HB2 ARG 33 1HB ARG 33 3.724 9.091 -0.494
232 HB3 ARG 33 2HB ARG 33 2.463 8.125 -1.249
233 HG2 ARG 33 1HG ARG 33 1.580 7.522 0.924
234 HG3 ARG 33 2HG ARG 33 2.885 8.406 1.719
235 HD2 ARG 33 1HD ARG 33 0.841 9.725 1.694
236 HD3 ARG 33 2HD ARG 33 2.087 10.487 0.706
237 HE ARG 33 HE ARG 33 0.301 8.788 -0.775
238 HH11 ARG 33 1HH1 ARG 33 0.836 11.990 0.481
239 HH12 ARG 33 2HH1 ARG 33 -0.198 12.758 -0.678
240 HH21 ARG 33 1HH2 ARG 33 -1.063 9.788 -2.306
241 HH22 ARG 33 2HH2 ARG 33 -1.278 11.505 -2.262
242 H THR 34 H THR 34 3.930 6.721 2.173
243 HA THR 34 HA THR 34 6.029 8.238 3.087
244 HB THR 34 HB THR 34 4.234 6.931 4.422
245 HG1 THR 34 HG1 THR 34 6.865 6.953 5.504
246 HG21 THR 34 3HG2 THR 34 4.721 4.798 5.193
247 HG22 THR 34 1HG2 THR 34 6.436 4.939 4.810
248 HG23 THR 34 2HG2 THR 34 5.259 4.717 3.516
249 H HIS 35 H HIS 35 6.108 5.013 1.725
250 HA HIS 35 HA HIS 35 8.562 4.077 2.520
251 HB2 HIS 35 1HB HIS 35 6.966 3.767 0.014
252 HB3 HIS 35 2HB HIS 35 8.613 3.144 0.043
253 HD1 HIS 35 HD1 HIS 35 9.090 1.125 1.598
254 HD2 HIS 35 HD2 HIS 35 5.119 2.345 1.549
255 HE1 HIS 35 HE1 HIS 35 7.802 -0.733 2.698
256 H THR 36 H THR 36 7.899 6.828 0.610
257 HA THR 36 HA THR 36 10.741 7.030 -0.150
258 HB THR 36 HB THR 36 10.048 8.551 -1.957
259 HG1 THR 36 HG1 THR 36 7.403 7.854 -1.145
260 HG21 THR 36 3HG2 THR 36 9.263 5.732 -1.783
261 HG22 THR 36 1HG2 THR 36 10.193 6.574 -3.022
262 HG23 THR 36 2HG2 THR 36 8.430 6.637 -3.046
263 H GLY 37 H GLY 37 9.860 7.761 2.419
264 HA2 GLY 37 1HA GLY 37 9.824 10.706 2.312
265 HA3 GLY 37 2HA GLY 37 9.304 9.736 3.683
266 H GLU 38 H GLU 38 11.491 7.977 3.837
267 HA GLU 38 HA GLU 38 13.231 9.351 5.487
268 HB2 GLU 38 1HB GLU 38 13.095 6.948 5.568
269 HB3 GLU 38 2HB GLU 38 13.675 6.812 3.914
270 HG2 GLU 38 1HG GLU 38 15.498 6.252 5.272
271 HG3 GLU 38 2HG GLU 38 15.813 7.893 4.710
272 H SER 39 H SER 39 14.907 10.668 5.184
273 HA SER 39 HA SER 39 16.328 10.634 2.625
274 HB2 SER 39 1HB SER 39 14.484 12.406 2.640
275 HB3 SER 39 2HB SER 39 15.441 13.238 3.866
276 HG SER 39 HG SER 39 16.954 13.691 2.410
277 H GLY 40 H GLY 40 18.331 10.130 3.248
278 HA2 GLY 40 1HA GLY 40 20.368 11.309 4.096
279 HA3 GLY 40 2HA GLY 40 19.452 11.574 5.572
280 HA PRO 41 HA PRO 41 21.869 7.450 5.525
281 HB2 PRO 41 1HB PRO 41 24.032 8.199 6.986
282 HB3 PRO 41 2HB PRO 41 23.989 8.281 5.221
283 HG2 PRO 41 1HG PRO 41 23.565 10.460 7.230
284 HG3 PRO 41 2HG PRO 41 24.492 10.497 5.719
285 HD2 PRO 41 1HD PRO 41 21.996 11.527 5.923
286 HD3 PRO 41 2HD PRO 41 22.609 10.798 4.424
287 H SER 42 H SER 42 21.442 6.058 7.141
288 HA SER 42 HA SER 42 20.076 6.953 9.468
289 HB2 SER 42 1HB SER 42 20.169 4.523 10.122
290 HB3 SER 42 2HB SER 42 19.470 4.824 8.531
291 HG SER 42 HG SER 42 21.356 4.141 7.585
292 H SER 43 H SER 43 23.296 5.576 8.909
293 HA SER 43 HA SER 43 24.047 5.686 11.667
294 HB2 SER 43 1HB SER 43 25.850 5.450 9.248
295 HB3 SER 43 2HB SER 43 26.247 5.013 10.910
296 HG SER 43 HG SER 43 24.534 3.725 9.090
297 H GLY 44 H GLY 44 25.129 7.236 12.769
298 HA2 GLY 44 1HA GLY 44 25.170 9.884 11.663
299 HA3 GLY 44 2HA GLY 44 25.701 9.417 13.272
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -4.796 -36.764 -0.992
2 HA2 GLY 1 1HA GLY 1 -5.388 -35.834 1.044
3 HA3 GLY 1 2HA GLY 1 -3.706 -35.387 1.287
4 H SER 2 H SER 2 -4.585 -33.387 2.148
5 HA SER 2 HA SER 2 -4.997 -31.432 0.006
6 HB2 SER 2 1HB SER 2 -7.208 -32.170 1.108
7 HB3 SER 2 2HB SER 2 -6.642 -31.289 2.527
8 HG SER 2 HG SER 2 -7.599 -30.345 0.130
9 H SER 3 H SER 3 -3.470 -29.947 0.192
10 HA SER 3 HA SER 3 -2.537 -29.213 2.890
11 HB2 SER 3 1HB SER 3 -0.890 -30.472 1.397
12 HB3 SER 3 2HB SER 3 -0.857 -29.025 0.389
13 HG SER 3 HG SER 3 -0.469 -28.685 3.126
14 H GLY 4 H GLY 4 -3.527 -27.335 3.334
15 HA2 GLY 4 1HA GLY 4 -3.214 -24.920 3.063
16 HA3 GLY 4 2HA GLY 4 -3.281 -25.182 1.327
17 H SER 5 H SER 5 -5.236 -25.611 4.268
18 HA SER 5 HA SER 5 -7.711 -25.944 3.057
19 HB2 SER 5 1HB SER 5 -7.372 -26.300 5.450
20 HB3 SER 5 2HB SER 5 -7.070 -24.578 5.684
21 HG SER 5 HG SER 5 -9.312 -24.477 4.595
22 H SER 6 H SER 6 -6.150 -22.932 4.123
23 HA SER 6 HA SER 6 -8.084 -21.446 2.468
24 HB2 SER 6 1HB SER 6 -6.710 -20.726 5.048
25 HB3 SER 6 2HB SER 6 -7.365 -19.481 3.985
26 HG SER 6 HG SER 6 -9.318 -21.071 4.137
27 H GLY 7 H GLY 7 -7.195 -20.869 0.599
28 HA2 GLY 7 1HA GLY 7 -4.343 -20.103 0.586
29 HA3 GLY 7 2HA GLY 7 -5.200 -20.770 -0.795
30 H THR 8 H THR 8 -3.727 -18.458 -1.031
31 HA THR 8 HA THR 8 -5.656 -16.672 -2.104
32 HB THR 8 HB THR 8 -5.931 -15.998 0.229
33 HG1 THR 8 HG1 THR 8 -5.567 -14.429 -1.728
34 HG21 THR 8 3HG2 THR 8 -3.506 -14.670 0.781
35 HG22 THR 8 1HG2 THR 8 -3.081 -16.308 0.285
36 HG23 THR 8 2HG2 THR 8 -4.197 -16.055 1.627
37 H GLY 9 H GLY 9 -4.742 -15.148 -3.479
38 HA2 GLY 9 1HA GLY 9 -1.842 -15.482 -3.893
39 HA3 GLY 9 2HA GLY 9 -2.996 -15.035 -5.142
40 H MET 10 H MET 10 -3.897 -12.897 -5.108
41 HA MET 10 HA MET 10 -1.968 -10.947 -4.159
42 HB2 MET 10 1HB MET 10 -4.422 -10.710 -5.902
43 HB3 MET 10 2HB MET 10 -3.430 -9.335 -5.435
44 HG2 MET 10 1HG MET 10 -1.482 -10.479 -6.492
45 HG3 MET 10 2HG MET 10 -2.602 -11.700 -7.095
46 HE1 MET 10 3HE MET 10 -2.723 -11.293 -9.915
47 HE2 MET 10 1HE MET 10 -4.073 -11.587 -8.819
48 HE3 MET 10 2HE MET 10 -4.202 -10.342 -10.061
49 H LYS 11 H LYS 11 -2.330 -9.385 -2.643
50 HA LYS 11 HA LYS 11 -4.529 -9.859 -0.814
51 HB2 LYS 11 1HB LYS 11 -1.953 -8.390 -0.734
52 HB3 LYS 11 2HB LYS 11 -3.245 -7.764 0.282
53 HG2 LYS 11 1HG LYS 11 -3.170 -9.519 1.697
54 HG3 LYS 11 2HG LYS 11 -2.774 -10.673 0.421
55 HD2 LYS 11 1HD LYS 11 -0.775 -8.619 1.295
56 HD3 LYS 11 2HD LYS 11 -0.989 -10.111 2.214
57 HE2 LYS 11 1HE LYS 11 -0.589 -10.215 -0.748
58 HE3 LYS 11 2HE LYS 11 0.796 -9.994 0.321
59 HZ1 LYS 11 3HZ LYS 11 0.616 -12.085 1.140
60 HZ2 LYS 11 1HZ LYS 11 -0.065 -12.372 -0.382
61 HZ3 LYS 11 2HZ LYS 11 -1.065 -12.151 0.964
62 HA PRO 12 HA PRO 12 -7.147 -6.531 -1.962
63 HB2 PRO 12 1HB PRO 12 -7.906 -5.498 0.431
64 HB3 PRO 12 2HB PRO 12 -8.475 -7.062 -0.164
65 HG2 PRO 12 1HG PRO 12 -6.291 -6.460 1.793
66 HG3 PRO 12 2HG PRO 12 -7.542 -7.714 1.864
67 HD2 PRO 12 1HD PRO 12 -5.001 -8.234 1.086
68 HD3 PRO 12 2HD PRO 12 -6.398 -9.113 0.434
69 H TYR 13 H TYR 13 -6.238 -4.858 0.937
70 HA TYR 13 HA TYR 13 -4.983 -2.764 -0.705
71 HB2 TYR 13 1HB TYR 13 -5.866 -2.188 2.075
72 HB3 TYR 13 2HB TYR 13 -5.918 -1.166 0.644
73 HD1 TYR 13 HD2 TYR 13 -7.561 -4.092 2.242
74 HD2 TYR 13 HD1 TYR 13 -7.910 -0.912 -0.563
75 HE1 TYR 13 HE2 TYR 13 -9.955 -4.594 1.979
76 HE2 TYR 13 HE1 TYR 13 -10.305 -1.404 -0.832
77 HH TYR 13 HH TYR 13 -11.837 -4.087 0.922
78 H VAL 14 H VAL 14 -3.854 -5.256 0.723
79 HA VAL 14 HA VAL 14 -2.097 -4.210 2.732
80 HB VAL 14 HB VAL 14 -1.802 -6.823 1.253
81 HG11 VAL 14 1HG1 VAL 14 -1.089 -6.495 4.106
82 HG12 VAL 14 2HG1 VAL 14 -0.306 -7.444 2.841
83 HG13 VAL 14 3HG1 VAL 14 -0.047 -5.702 2.925
84 HG21 VAL 14 3HG2 VAL 14 -3.515 -6.136 3.633
85 HG22 VAL 14 1HG2 VAL 14 -4.033 -6.804 2.086
86 HG23 VAL 14 2HG2 VAL 14 -3.074 -7.785 3.193
87 H CYS 15 H CYS 15 0.024 -3.636 2.577
88 HA CYS 15 HA CYS 15 0.977 -2.743 0.051
89 HB2 CYS 15 1HB CYS 15 1.477 -1.918 2.521
90 HB3 CYS 15 2HB CYS 15 2.826 -3.040 2.376
91 H ASN 16 H ASN 16 1.642 -4.113 -1.468
92 HA ASN 16 HA ASN 16 2.675 -6.707 -0.903
93 HB2 ASN 16 1HB ASN 16 2.207 -5.072 -3.349
94 HB3 ASN 16 2HB ASN 16 3.336 -6.417 -3.473
95 HD21 ASN 16 1HD2 ASN 16 0.173 -5.519 -3.749
96 HD22 ASN 16 2HD2 ASN 16 -0.572 -7.073 -3.631
97 H GLU 17 H GLU 17 4.071 -3.784 -0.493
98 HA GLU 17 HA GLU 17 6.731 -4.564 -1.417
99 HB2 GLU 17 1HB GLU 17 5.863 -1.985 -0.103
100 HB3 GLU 17 2HB GLU 17 7.400 -2.293 -0.900
101 HG2 GLU 17 1HG GLU 17 5.930 -2.792 -2.977
102 HG3 GLU 17 2HG GLU 17 4.698 -1.889 -2.098
103 H CYS 18 H CYS 18 5.017 -3.712 1.562
104 HA CYS 18 HA CYS 18 7.252 -4.883 3.087
105 HB2 CYS 18 1HB CYS 18 6.526 -3.417 4.972
106 HB3 CYS 18 2HB CYS 18 7.111 -2.524 3.572
107 H GLY 19 H GLY 19 3.775 -4.644 2.689
108 HA2 GLY 19 1HA GLY 19 2.474 -6.669 3.054
109 HA3 GLY 19 2HA GLY 19 3.501 -7.006 4.439
110 H LYS 20 H LYS 20 2.803 -3.736 4.284
111 HA LYS 20 HA LYS 20 1.325 -3.733 6.675
112 HB2 LYS 20 1HB LYS 20 2.711 -1.843 5.592
113 HB3 LYS 20 2HB LYS 20 1.250 -1.482 4.681
114 HG2 LYS 20 1HG LYS 20 0.946 -0.073 6.430
115 HG3 LYS 20 2HG LYS 20 0.175 -1.513 7.099
116 HD2 LYS 20 1HD LYS 20 2.043 -2.021 8.435
117 HD3 LYS 20 2HD LYS 20 3.090 -0.923 7.533
118 HE2 LYS 20 1HE LYS 20 0.735 -0.037 9.193
119 HE3 LYS 20 2HE LYS 20 2.396 -0.084 9.782
120 HZ1 LYS 20 3HZ LYS 20 1.571 2.118 8.912
121 HZ2 LYS 20 1HZ LYS 20 1.622 1.437 7.364
122 HZ3 LYS 20 2HZ LYS 20 3.040 1.574 8.275
123 H ALA 21 H ALA 21 -0.647 -4.567 6.880
124 HA ALA 21 HA ALA 21 -2.531 -4.475 4.664
125 HB1 ALA 21 3HB ALA 21 -2.803 -6.531 5.554
126 HB2 ALA 21 1HB ALA 21 -2.269 -6.027 7.157
127 HB3 ALA 21 2HB ALA 21 -3.916 -5.683 6.627
128 H PHE 22 H PHE 22 -4.160 -3.073 4.493
129 HA PHE 22 HA PHE 22 -4.801 -1.403 6.835
130 HB2 PHE 22 1HB PHE 22 -5.045 -0.605 3.929
131 HB3 PHE 22 2HB PHE 22 -5.287 0.429 5.333
132 HD1 PHE 22 HD1 PHE 22 -2.738 -1.528 3.494
133 HD2 PHE 22 HD2 PHE 22 -3.497 1.577 6.304
134 HE1 PHE 22 HE1 PHE 22 -0.362 -0.894 3.429
135 HE2 PHE 22 HE2 PHE 22 -1.122 2.217 6.243
136 HZ PHE 22 HZ PHE 22 0.449 0.982 4.804
137 H ARG 23 H ARG 23 -7.050 -0.333 6.529
138 HA ARG 23 HA ARG 23 -8.942 -2.501 6.209
139 HB2 ARG 23 1HB ARG 23 -9.141 -1.028 8.144
140 HB3 ARG 23 2HB ARG 23 -9.327 0.365 7.087
141 HG2 ARG 23 1HG ARG 23 -11.501 -0.065 7.682
142 HG3 ARG 23 2HG ARG 23 -11.370 -0.949 6.160
143 HD2 ARG 23 1HD ARG 23 -10.764 -2.976 7.568
144 HD3 ARG 23 2HD ARG 23 -11.297 -2.038 8.962
145 HE ARG 23 HE ARG 23 -13.227 -2.186 6.829
146 HH11 ARG 23 1HH1 ARG 23 -12.007 -3.692 9.721
147 HH12 ARG 23 2HH1 ARG 23 -13.482 -4.536 10.061
148 HH21 ARG 23 1HH2 ARG 23 -15.174 -3.292 7.265
149 HH22 ARG 23 2HH2 ARG 23 -15.282 -4.308 8.662
150 H SER 24 H SER 24 -8.005 0.422 4.550
151 HA SER 24 HA SER 24 -9.829 -0.291 2.365
152 HB2 SER 24 1HB SER 24 -9.421 2.551 3.318
153 HB3 SER 24 2HB SER 24 -10.510 2.005 2.043
154 HG SER 24 HG SER 24 -11.826 1.104 3.535
155 H LYS 25 H LYS 25 -9.266 1.146 0.375
156 HA LYS 25 HA LYS 25 -6.515 0.643 -0.234
157 HB2 LYS 25 1HB LYS 25 -8.608 0.566 -1.791
158 HB3 LYS 25 2HB LYS 25 -8.322 2.292 -1.970
159 HG2 LYS 25 1HG LYS 25 -6.364 1.992 -3.120
160 HG3 LYS 25 2HG LYS 25 -6.058 0.408 -2.402
161 HD2 LYS 25 1HD LYS 25 -6.659 -0.137 -4.572
162 HD3 LYS 25 2HD LYS 25 -8.186 -0.309 -3.705
163 HE2 LYS 25 1HE LYS 25 -8.621 2.124 -4.370
164 HE3 LYS 25 2HE LYS 25 -7.292 1.918 -5.510
165 HZ1 LYS 25 3HZ LYS 25 -9.271 1.444 -6.674
166 HZ2 LYS 25 1HZ LYS 25 -9.863 0.446 -5.442
167 HZ3 LYS 25 2HZ LYS 25 -8.545 -0.054 -6.377
168 H SER 26 H SER 26 -8.484 3.564 0.188
169 HA SER 26 HA SER 26 -6.544 5.463 -0.434
170 HB2 SER 26 1HB SER 26 -7.950 7.058 0.586
171 HB3 SER 26 2HB SER 26 -9.053 5.796 0.037
172 HG SER 26 HG SER 26 -9.467 6.457 2.200
173 H TYR 27 H TYR 27 -7.002 3.551 2.439
174 HA TYR 27 HA TYR 27 -5.286 5.120 4.111
175 HB2 TYR 27 1HB TYR 27 -7.170 3.356 4.715
176 HB3 TYR 27 2HB TYR 27 -5.812 2.237 4.681
177 HD1 TYR 27 HD2 TYR 27 -5.976 5.769 5.867
178 HD2 TYR 27 HD1 TYR 27 -5.398 1.682 6.901
179 HE1 TYR 27 HE2 TYR 27 -5.374 6.439 8.155
180 HE2 TYR 27 HE1 TYR 27 -4.796 2.341 9.193
181 HH TYR 27 HH TYR 27 -4.672 4.023 10.653
182 H LEU 28 H LEU 28 -4.876 2.467 1.895
183 HA LEU 28 HA LEU 28 -2.199 1.853 2.800
184 HB2 LEU 28 1HB LEU 28 -3.192 -0.047 1.996
185 HB3 LEU 28 2HB LEU 28 -4.053 0.813 0.721
186 HG LEU 28 HG LEU 28 -1.828 1.049 -0.453
187 HD11 LEU 28 1HD1 LEU 28 0.015 -0.236 0.198
188 HD12 LEU 28 2HD1 LEU 28 -0.932 -1.174 1.352
189 HD13 LEU 28 3HD1 LEU 28 -0.550 0.513 1.691
190 HD21 LEU 28 3HD2 LEU 28 -2.033 -1.793 -0.473
191 HD22 LEU 28 1HD2 LEU 28 -2.614 -0.631 -1.666
192 HD23 LEU 28 2HD2 LEU 28 -3.652 -1.107 -0.322
193 H ILE 29 H ILE 29 -3.733 3.611 0.168
194 HA ILE 29 HA ILE 29 -1.442 4.035 -1.410
195 HB ILE 29 HB ILE 29 -3.937 5.711 -1.133
196 HG12 ILE 29 1HG1 ILE 29 -3.280 4.035 -3.514
197 HG13 ILE 29 2HG1 ILE 29 -3.855 3.225 -2.060
198 HG21 ILE 29 1HG2 ILE 29 -3.059 7.236 -2.486
199 HG22 ILE 29 2HG2 ILE 29 -1.505 6.419 -2.332
200 HG23 ILE 29 3HG2 ILE 29 -2.595 5.997 -3.652
201 HD11 ILE 29 3HD1 ILE 29 -5.904 4.426 -2.113
202 HD12 ILE 29 1HD1 ILE 29 -5.317 5.484 -3.397
203 HD13 ILE 29 2HD1 ILE 29 -5.619 3.778 -3.728
204 H ILE 30 H ILE 30 -2.869 5.921 1.226
205 HA ILE 30 HA ILE 30 -1.133 8.127 1.065
206 HB ILE 30 HB ILE 30 -1.783 8.585 3.410
207 HG12 ILE 30 1HG1 ILE 30 -3.615 6.219 3.326
208 HG13 ILE 30 2HG1 ILE 30 -1.946 5.993 3.839
209 HG21 ILE 30 1HG2 ILE 30 -4.403 7.921 2.380
210 HG22 ILE 30 2HG2 ILE 30 -3.656 9.498 2.630
211 HG23 ILE 30 3HG2 ILE 30 -3.366 8.613 1.133
212 HD11 ILE 30 3HD1 ILE 30 -4.069 6.732 5.429
213 HD12 ILE 30 1HD1 ILE 30 -2.359 6.847 5.843
214 HD13 ILE 30 2HD1 ILE 30 -3.198 8.242 5.163
215 H HIS 31 H HIS 31 -0.656 4.934 2.228
216 HA HIS 31 HA HIS 31 1.680 5.673 3.812
217 HB2 HIS 31 1HB HIS 31 0.644 3.992 4.972
218 HB3 HIS 31 2HB HIS 31 0.005 3.235 3.516
219 HD1 HIS 31 HD1 HIS 31 2.504 2.777 6.051
220 HD2 HIS 31 HD2 HIS 31 2.178 1.839 2.017
221 HE1 HIS 31 HE1 HIS 31 4.225 0.991 5.635
222 H THR 32 H THR 32 0.872 3.692 0.977
223 HA THR 32 HA THR 32 3.243 2.619 0.262
224 HB THR 32 HB THR 32 1.053 2.563 -1.046
225 HG1 THR 32 HG1 THR 32 3.648 2.455 -1.954
226 HG21 THR 32 3HG2 THR 32 1.989 4.558 -2.939
227 HG22 THR 32 1HG2 THR 32 1.574 5.264 -1.378
228 HG23 THR 32 2HG2 THR 32 0.379 4.316 -2.262
229 H ARG 33 H ARG 33 2.477 5.996 0.321
230 HA ARG 33 HA ARG 33 4.765 6.775 -1.268
231 HB2 ARG 33 1HB ARG 33 4.072 9.092 -0.623
232 HB3 ARG 33 2HB ARG 33 2.822 8.164 -1.440
233 HG2 ARG 33 1HG ARG 33 1.744 7.708 0.693
234 HG3 ARG 33 2HG ARG 33 3.014 8.601 1.533
235 HD2 ARG 33 1HD ARG 33 1.421 9.903 -0.642
236 HD3 ARG 33 2HD ARG 33 0.770 9.782 0.992
237 HE ARG 33 HE ARG 33 2.342 11.318 1.717
238 HH11 ARG 33 1HH1 ARG 33 2.951 10.407 -1.588
239 HH12 ARG 33 2HH1 ARG 33 4.087 11.685 -1.868
240 HH21 ARG 33 1HH2 ARG 33 3.835 13.006 1.360
241 HH22 ARG 33 2HH2 ARG 33 4.589 13.162 -0.190
242 H THR 34 H THR 34 3.840 6.702 2.134
243 HA THR 34 HA THR 34 5.838 8.162 3.311
244 HB THR 34 HB THR 34 3.924 6.933 4.460
245 HG1 THR 34 HG1 THR 34 5.436 8.020 5.712
246 HG21 THR 34 3HG2 THR 34 3.937 4.710 4.658
247 HG22 THR 34 1HG2 THR 34 5.593 4.713 5.264
248 HG23 THR 34 2HG2 THR 34 5.289 4.686 3.526
249 H HIS 35 H HIS 35 6.135 5.198 1.593
250 HA HIS 35 HA HIS 35 8.443 4.109 2.716
251 HB2 HIS 35 1HB HIS 35 7.188 3.989 0.004
252 HB3 HIS 35 2HB HIS 35 8.801 3.318 0.227
253 HD1 HIS 35 HD1 HIS 35 8.951 1.428 2.181
254 HD2 HIS 35 HD2 HIS 35 5.171 2.306 0.698
255 HE1 HIS 35 HE1 HIS 35 7.498 -0.511 2.853
256 H THR 36 H THR 36 8.050 7.059 1.150
257 HA THR 36 HA THR 36 10.839 7.191 0.266
258 HB THR 36 HB THR 36 8.995 8.010 -1.241
259 HG1 THR 36 HG1 THR 36 10.992 8.804 -1.712
260 HG21 THR 36 3HG2 THR 36 7.858 9.143 0.842
261 HG22 THR 36 1HG2 THR 36 7.726 9.870 -0.759
262 HG23 THR 36 2HG2 THR 36 8.895 10.500 0.402
263 H GLY 37 H GLY 37 10.357 7.065 3.059
264 HA2 GLY 37 1HA GLY 37 11.810 9.405 3.880
265 HA3 GLY 37 2HA GLY 37 10.163 9.381 4.492
266 H GLU 38 H GLU 38 9.621 6.984 5.326
267 HA GLU 38 HA GLU 38 11.816 6.269 7.159
268 HB2 GLU 38 1HB GLU 38 9.979 7.326 8.357
269 HB3 GLU 38 2HB GLU 38 8.834 6.196 7.647
270 HG2 GLU 38 1HG GLU 38 10.187 4.363 8.776
271 HG3 GLU 38 2HG GLU 38 10.959 5.657 9.692
272 H SER 39 H SER 39 12.693 4.433 6.454
273 HA SER 39 HA SER 39 11.288 2.500 4.911
274 HB2 SER 39 1HB SER 39 14.018 2.728 6.085
275 HB3 SER 39 2HB SER 39 13.457 1.120 5.628
276 HG SER 39 HG SER 39 14.526 2.169 3.902
277 H GLY 40 H GLY 40 12.340 2.641 8.295
278 HA2 GLY 40 1HA GLY 40 10.205 0.869 9.072
279 HA3 GLY 40 2HA GLY 40 11.798 0.140 9.210
280 HA PRO 41 HA PRO 41 10.841 2.289 13.202
281 HB2 PRO 41 1HB PRO 41 11.655 0.231 14.775
282 HB3 PRO 41 2HB PRO 41 10.015 0.355 14.128
283 HG2 PRO 41 1HG PRO 41 12.327 -1.265 13.131
284 HG3 PRO 41 2HG PRO 41 10.623 -1.729 13.294
285 HD2 PRO 41 1HD PRO 41 11.716 -1.004 10.925
286 HD3 PRO 41 2HD PRO 41 10.019 -0.678 11.333
287 H SER 42 H SER 42 12.305 3.383 14.428
288 HA SER 42 HA SER 42 15.118 3.048 13.717
289 HB2 SER 42 1HB SER 42 13.889 5.304 13.677
290 HB3 SER 42 2HB SER 42 13.978 5.247 15.437
291 HG SER 42 HG SER 42 16.177 5.140 13.642
292 H SER 43 H SER 43 16.773 3.064 15.351
293 HA SER 43 HA SER 43 15.896 2.226 18.023
294 HB2 SER 43 1HB SER 43 17.756 0.733 16.181
295 HB3 SER 43 2HB SER 43 17.817 0.514 17.930
296 HG SER 43 HG SER 43 16.352 -0.948 17.428
297 H GLY 44 H GLY 44 17.537 2.445 19.675
298 HA2 GLY 44 1HA GLY 44 19.311 3.481 20.714
299 HA3 GLY 44 2HA GLY 44 20.042 3.693 19.130
Start of MODEL 12
1 H1 GLY 1 H GLY 1 0.238 -34.787 -1.069
2 HA2 GLY 1 1HA GLY 1 1.036 -33.039 -2.454
3 HA3 GLY 1 2HA GLY 1 -0.655 -32.629 -2.210
4 H SER 2 H SER 2 2.569 -32.143 -0.801
5 HA SER 2 HA SER 2 1.703 -29.786 0.624
6 HB2 SER 2 1HB SER 2 4.223 -31.363 0.421
7 HB3 SER 2 2HB SER 2 4.357 -29.673 0.906
8 HG SER 2 HG SER 2 4.083 -31.024 2.714
9 H SER 3 H SER 3 1.008 -28.386 -1.010
10 HA SER 3 HA SER 3 3.191 -27.200 -2.591
11 HB2 SER 3 1HB SER 3 0.374 -27.843 -3.457
12 HB3 SER 3 2HB SER 3 1.372 -26.666 -4.311
13 HG SER 3 HG SER 3 2.814 -28.867 -3.934
14 H GLY 4 H GLY 4 -0.071 -26.652 -1.275
15 HA2 GLY 4 1HA GLY 4 0.488 -24.362 0.148
16 HA3 GLY 4 2HA GLY 4 0.109 -23.807 -1.475
17 H SER 5 H SER 5 -1.191 -24.163 1.458
18 HA SER 5 HA SER 5 -3.756 -25.269 0.710
19 HB2 SER 5 1HB SER 5 -4.388 -24.679 3.059
20 HB3 SER 5 2HB SER 5 -2.962 -25.711 2.952
21 HG SER 5 HG SER 5 -3.195 -23.073 3.780
22 H SER 6 H SER 6 -3.115 -23.098 -0.890
23 HA SER 6 HA SER 6 -5.431 -21.509 -0.651
24 HB2 SER 6 1HB SER 6 -4.388 -20.319 1.122
25 HB3 SER 6 2HB SER 6 -2.842 -20.263 0.275
26 HG SER 6 HG SER 6 -4.995 -19.112 -1.037
27 H GLY 7 H GLY 7 -5.784 -20.215 -2.471
28 HA2 GLY 7 1HA GLY 7 -4.609 -21.046 -4.857
29 HA3 GLY 7 2HA GLY 7 -5.560 -19.581 -4.665
30 H THR 8 H THR 8 -4.564 -17.707 -5.003
31 HA THR 8 HA THR 8 -1.656 -17.725 -5.313
32 HB THR 8 HB THR 8 -1.967 -15.512 -6.394
33 HG1 THR 8 HG1 THR 8 -3.876 -14.560 -6.392
34 HG21 THR 8 3HG2 THR 8 -1.948 -17.505 -7.779
35 HG22 THR 8 1HG2 THR 8 -3.117 -16.349 -8.415
36 HG23 THR 8 2HG2 THR 8 -3.671 -17.749 -7.497
37 H GLY 9 H GLY 9 -4.177 -15.707 -3.793
38 HA2 GLY 9 1HA GLY 9 -3.197 -15.392 -1.310
39 HA3 GLY 9 2HA GLY 9 -2.184 -14.291 -2.233
40 H MET 10 H MET 10 -4.131 -13.727 -0.108
41 HA MET 10 HA MET 10 -6.104 -12.140 -1.603
42 HB2 MET 10 1HB MET 10 -6.077 -13.227 1.202
43 HB3 MET 10 2HB MET 10 -7.172 -11.934 0.731
44 HG2 MET 10 1HG MET 10 -7.059 -14.496 -0.809
45 HG3 MET 10 2HG MET 10 -8.012 -14.357 0.666
46 HE1 MET 10 3HE MET 10 -10.980 -14.156 -1.639
47 HE2 MET 10 1HE MET 10 -9.811 -15.268 -0.925
48 HE3 MET 10 2HE MET 10 -10.686 -14.131 0.100
49 H LYS 11 H LYS 11 -4.885 -10.340 -2.099
50 HA LYS 11 HA LYS 11 -4.172 -8.651 0.197
51 HB2 LYS 11 1HB LYS 11 -2.488 -9.303 -2.207
52 HB3 LYS 11 2HB LYS 11 -2.259 -7.799 -1.324
53 HG2 LYS 11 1HG LYS 11 -1.536 -8.893 0.598
54 HG3 LYS 11 2HG LYS 11 -2.222 -10.438 0.090
55 HD2 LYS 11 1HD LYS 11 0.139 -10.592 -0.179
56 HD3 LYS 11 2HD LYS 11 -0.559 -10.442 -1.794
57 HE2 LYS 11 1HE LYS 11 0.150 -8.229 -2.022
58 HE3 LYS 11 2HE LYS 11 0.388 -8.029 -0.287
59 HZ1 LYS 11 3HZ LYS 11 2.044 -10.105 -1.180
60 HZ2 LYS 11 1HZ LYS 11 2.494 -8.604 -0.542
61 HZ3 LYS 11 2HZ LYS 11 2.269 -8.782 -2.209
62 HA PRO 12 HA PRO 12 -6.997 -6.392 -2.662
63 HB2 PRO 12 1HB PRO 12 -8.395 -5.187 -0.672
64 HB3 PRO 12 2HB PRO 12 -8.775 -6.807 -1.268
65 HG2 PRO 12 1HG PRO 12 -7.226 -5.998 1.163
66 HG3 PRO 12 2HG PRO 12 -8.448 -7.271 0.987
67 HD2 PRO 12 1HD PRO 12 -5.792 -7.794 0.995
68 HD3 PRO 12 2HD PRO 12 -6.951 -8.755 0.055
69 H TYR 13 H TYR 13 -5.845 -5.035 0.436
70 HA TYR 13 HA TYR 13 -4.811 -2.724 -1.069
71 HB2 TYR 13 1HB TYR 13 -5.647 -2.273 1.735
72 HB3 TYR 13 2HB TYR 13 -5.783 -1.217 0.334
73 HD1 TYR 13 HD2 TYR 13 -7.299 -4.185 1.967
74 HD2 TYR 13 HD1 TYR 13 -7.816 -1.021 -0.830
75 HE1 TYR 13 HE2 TYR 13 -9.689 -4.741 1.788
76 HE2 TYR 13 HE1 TYR 13 -10.207 -1.567 -1.016
77 HH TYR 13 HH TYR 13 -11.899 -3.130 1.027
78 H VAL 14 H VAL 14 -3.671 -5.299 0.141
79 HA VAL 14 HA VAL 14 -1.930 -4.431 2.246
80 HB VAL 14 HB VAL 14 -1.830 -6.916 0.531
81 HG11 VAL 14 1HG1 VAL 14 -0.130 -7.749 1.834
82 HG12 VAL 14 2HG1 VAL 14 0.307 -6.040 1.768
83 HG13 VAL 14 3HG1 VAL 14 -0.505 -6.690 3.192
84 HG21 VAL 14 3HG2 VAL 14 -3.492 -7.675 1.793
85 HG22 VAL 14 1HG2 VAL 14 -2.503 -7.439 3.234
86 HG23 VAL 14 2HG2 VAL 14 -3.549 -6.140 2.660
87 H CYS 15 H CYS 15 0.111 -3.680 2.136
88 HA CYS 15 HA CYS 15 1.086 -2.629 -0.307
89 HB2 CYS 15 1HB CYS 15 1.529 -1.953 2.218
90 HB3 CYS 15 2HB CYS 15 2.913 -3.023 2.022
91 H ASN 16 H ASN 16 1.835 -3.858 -1.903
92 HA ASN 16 HA ASN 16 2.879 -6.468 -1.546
93 HB2 ASN 16 1HB ASN 16 3.314 -4.736 -3.978
94 HB3 ASN 16 2HB ASN 16 3.224 -6.493 -3.899
95 HD21 ASN 16 1HD2 ASN 16 1.437 -7.240 -4.752
96 HD22 ASN 16 2HD2 ASN 16 -0.123 -6.502 -4.672
97 H GLU 17 H GLU 17 4.238 -3.524 -0.881
98 HA GLU 17 HA GLU 17 6.950 -4.216 -1.668
99 HB2 GLU 17 1HB GLU 17 5.935 -1.826 -0.119
100 HB3 GLU 17 2HB GLU 17 7.556 -2.024 -0.768
101 HG2 GLU 17 1HG GLU 17 5.131 -2.063 -2.529
102 HG3 GLU 17 2HG GLU 17 5.931 -0.561 -2.068
103 H CYS 18 H CYS 18 5.301 -3.364 1.380
104 HA CYS 18 HA CYS 18 7.372 -4.871 2.827
105 HB2 CYS 18 1HB CYS 18 6.554 -3.589 4.831
106 HB3 CYS 18 2HB CYS 18 7.288 -2.598 3.575
107 H GLY 19 H GLY 19 3.945 -4.595 2.235
108 HA2 GLY 19 1HA GLY 19 2.618 -6.624 2.379
109 HA3 GLY 19 2HA GLY 19 3.553 -7.066 3.800
110 H LYS 20 H LYS 20 2.993 -3.829 4.015
111 HA LYS 20 HA LYS 20 1.400 -3.919 6.259
112 HB2 LYS 20 1HB LYS 20 2.674 -1.942 5.017
113 HB3 LYS 20 2HB LYS 20 1.057 -1.602 4.415
114 HG2 LYS 20 1HG LYS 20 1.402 -0.277 6.354
115 HG3 LYS 20 2HG LYS 20 0.268 -1.560 6.782
116 HD2 LYS 20 1HD LYS 20 1.935 -1.240 8.537
117 HD3 LYS 20 2HD LYS 20 2.092 -2.835 7.798
118 HE2 LYS 20 1HE LYS 20 4.007 -2.182 6.575
119 HE3 LYS 20 2HE LYS 20 3.737 -0.475 6.921
120 HZ1 LYS 20 3HZ LYS 20 5.103 -0.722 8.631
121 HZ2 LYS 20 1HZ LYS 20 5.170 -2.401 8.433
122 HZ3 LYS 20 2HZ LYS 20 3.947 -1.708 9.374
123 H ALA 21 H ALA 21 -0.510 -4.909 6.406
124 HA ALA 21 HA ALA 21 -2.398 -4.819 4.194
125 HB1 ALA 21 3HB ALA 21 -1.940 -6.932 5.426
126 HB2 ALA 21 1HB ALA 21 -2.696 -6.213 6.848
127 HB3 ALA 21 2HB ALA 21 -3.645 -6.482 5.385
128 H PHE 22 H PHE 22 -3.914 -3.313 4.049
129 HA PHE 22 HA PHE 22 -4.755 -1.921 6.505
130 HB2 PHE 22 1HB PHE 22 -4.887 -0.891 3.664
131 HB3 PHE 22 2HB PHE 22 -5.260 0.013 5.128
132 HD1 PHE 22 HD1 PHE 22 -2.586 -1.420 3.077
133 HD2 PHE 22 HD2 PHE 22 -3.518 0.895 6.525
134 HE1 PHE 22 HE1 PHE 22 -0.243 -0.683 3.211
135 HE2 PHE 22 HE2 PHE 22 -1.177 1.636 6.664
136 HZ PHE 22 HZ PHE 22 0.465 0.849 5.006
137 H ARG 23 H ARG 23 -7.025 -0.805 6.022
138 HA ARG 23 HA ARG 23 -8.840 -3.021 5.547
139 HB2 ARG 23 1HB ARG 23 -9.371 -0.195 6.483
140 HB3 ARG 23 2HB ARG 23 -10.571 -1.478 6.402
141 HG2 ARG 23 1HG ARG 23 -8.077 -1.617 8.080
142 HG3 ARG 23 2HG ARG 23 -9.643 -1.059 8.674
143 HD2 ARG 23 1HD ARG 23 -10.534 -3.308 7.791
144 HD3 ARG 23 2HD ARG 23 -8.841 -3.797 7.752
145 HE ARG 23 HE ARG 23 -8.903 -4.007 10.023
146 HH11 ARG 23 1HH1 ARG 23 -11.559 -1.994 9.014
147 HH12 ARG 23 2HH1 ARG 23 -12.260 -1.902 10.596
148 HH21 ARG 23 1HH2 ARG 23 -9.817 -3.893 12.110
149 HH22 ARG 23 2HH2 ARG 23 -11.268 -2.981 12.356
150 H SER 24 H SER 24 -8.161 0.186 4.218
151 HA SER 24 HA SER 24 -9.713 -0.567 1.832
152 HB2 SER 24 1HB SER 24 -10.718 1.252 3.424
153 HB3 SER 24 2HB SER 24 -9.502 2.300 2.694
154 HG SER 24 HG SER 24 -10.421 1.951 0.698
155 H LYS 25 H LYS 25 -9.101 0.836 -0.090
156 HA LYS 25 HA LYS 25 -6.300 0.595 -0.524
157 HB2 LYS 25 1HB LYS 25 -8.386 0.540 -2.181
158 HB3 LYS 25 2HB LYS 25 -7.979 2.243 -2.352
159 HG2 LYS 25 1HG LYS 25 -5.841 0.182 -2.637
160 HG3 LYS 25 2HG LYS 25 -6.959 0.481 -3.970
161 HD2 LYS 25 1HD LYS 25 -5.465 2.707 -2.610
162 HD3 LYS 25 2HD LYS 25 -4.771 1.799 -3.955
163 HE2 LYS 25 1HE LYS 25 -7.072 2.372 -5.094
164 HE3 LYS 25 2HE LYS 25 -7.079 3.685 -3.917
165 HZ1 LYS 25 3HZ LYS 25 -4.572 3.771 -4.956
166 HZ2 LYS 25 1HZ LYS 25 -5.857 4.776 -5.402
167 HZ3 LYS 25 2HZ LYS 25 -5.521 3.385 -6.303
168 H SER 26 H SER 26 -8.460 3.293 0.146
169 HA SER 26 HA SER 26 -6.747 5.414 -0.415
170 HB2 SER 26 1HB SER 26 -9.201 5.559 0.175
171 HB3 SER 26 2HB SER 26 -8.734 5.357 1.863
172 HG SER 26 HG SER 26 -8.897 7.597 0.652
173 H TYR 27 H TYR 27 -6.807 3.211 2.273
174 HA TYR 27 HA TYR 27 -5.147 4.784 3.994
175 HB2 TYR 27 1HB TYR 27 -6.781 2.767 4.518
176 HB3 TYR 27 2HB TYR 27 -5.320 1.816 4.273
177 HD1 TYR 27 HD1 TYR 27 -3.183 3.060 5.512
178 HD2 TYR 27 HD2 TYR 27 -7.260 3.186 6.726
179 HE1 TYR 27 HE1 TYR 27 -2.476 3.546 7.817
180 HE2 TYR 27 HE2 TYR 27 -6.563 3.673 9.034
181 HH TYR 27 HH TYR 27 -3.940 4.854 9.954
182 H LEU 28 H LEU 28 -4.616 2.165 1.693
183 HA LEU 28 HA LEU 28 -1.865 1.792 2.297
184 HB2 LEU 28 1HB LEU 28 -2.900 -0.005 1.233
185 HB3 LEU 28 2HB LEU 28 -3.636 1.026 0.007
186 HG LEU 28 HG LEU 28 -1.336 1.385 -0.934
187 HD11 LEU 28 1HD1 LEU 28 -0.494 -1.026 0.618
188 HD12 LEU 28 2HD1 LEU 28 -0.284 0.589 1.294
189 HD13 LEU 28 3HD1 LEU 28 0.494 0.163 -0.230
190 HD21 LEU 28 3HD2 LEU 28 -1.291 -1.295 -1.500
191 HD22 LEU 28 1HD2 LEU 28 -2.277 -0.088 -2.327
192 HD23 LEU 28 2HD2 LEU 28 -2.965 -1.036 -1.007
193 H ILE 29 H ILE 29 -3.620 3.975 0.231
194 HA ILE 29 HA ILE 29 -1.441 4.775 -1.404
195 HB ILE 29 HB ILE 29 -3.943 6.323 -0.716
196 HG12 ILE 29 1HG1 ILE 29 -3.507 4.793 -3.259
197 HG13 ILE 29 2HG1 ILE 29 -4.077 3.954 -1.820
198 HG21 ILE 29 1HG2 ILE 29 -3.031 7.980 -1.878
199 HG22 ILE 29 2HG2 ILE 29 -1.618 6.995 -2.254
200 HG23 ILE 29 3HG2 ILE 29 -3.037 6.935 -3.299
201 HD11 ILE 29 3HD1 ILE 29 -5.671 6.248 -2.084
202 HD12 ILE 29 1HD1 ILE 29 -5.541 5.532 -3.690
203 HD13 ILE 29 2HD1 ILE 29 -6.133 4.566 -2.338
204 H ILE 30 H ILE 30 -2.777 5.973 1.636
205 HA ILE 30 HA ILE 30 -1.078 8.266 1.769
206 HB ILE 30 HB ILE 30 -1.850 8.494 4.073
207 HG12 ILE 30 1HG1 ILE 30 -3.574 6.067 3.800
208 HG13 ILE 30 2HG1 ILE 30 -1.895 5.860 4.284
209 HG21 ILE 30 1HG2 ILE 30 -4.394 8.349 3.526
210 HG22 ILE 30 2HG2 ILE 30 -3.365 9.475 2.642
211 HG23 ILE 30 3HG2 ILE 30 -3.827 7.940 1.907
212 HD11 ILE 30 3HD1 ILE 30 -2.252 6.692 6.333
213 HD12 ILE 30 1HD1 ILE 30 -3.379 7.920 5.757
214 HD13 ILE 30 2HD1 ILE 30 -3.929 6.261 5.997
215 H HIS 31 H HIS 31 -0.561 4.970 2.278
216 HA HIS 31 HA HIS 31 1.605 5.375 4.193
217 HB2 HIS 31 1HB HIS 31 0.517 3.451 4.828
218 HB3 HIS 31 2HB HIS 31 0.095 3.015 3.175
219 HD1 HIS 31 HD1 HIS 31 2.338 2.117 5.838
220 HD2 HIS 31 HD2 HIS 31 2.492 2.057 1.687
221 HE1 HIS 31 HE1 HIS 31 4.203 0.533 5.257
222 H THR 32 H THR 32 1.091 4.167 0.899
223 HA THR 32 HA THR 32 3.646 3.395 0.232
224 HB THR 32 HB THR 32 1.629 3.187 -1.239
225 HG1 THR 32 HG1 THR 32 3.942 3.036 -1.946
226 HG21 THR 32 3HG2 THR 32 1.946 6.104 -1.269
227 HG22 THR 32 1HG2 THR 32 0.521 5.116 -1.586
228 HG23 THR 32 2HG2 THR 32 1.712 5.380 -2.859
229 H ARG 33 H ARG 33 2.518 6.549 0.939
230 HA ARG 33 HA ARG 33 4.621 7.931 -0.479
231 HB2 ARG 33 1HB ARG 33 3.714 9.912 0.882
232 HB3 ARG 33 2HB ARG 33 2.652 9.190 -0.320
233 HG2 ARG 33 1HG ARG 33 1.239 8.319 1.246
234 HG3 ARG 33 2HG ARG 33 2.502 8.188 2.472
235 HD2 ARG 33 1HD ARG 33 0.827 9.931 2.988
236 HD3 ARG 33 2HD ARG 33 2.463 10.570 2.831
237 HE ARG 33 HE ARG 33 1.455 10.914 0.357
238 HH11 ARG 33 1HH1 ARG 33 0.270 11.734 3.526
239 HH12 ARG 33 2HH1 ARG 33 -0.605 13.127 2.981
240 HH21 ARG 33 1HH2 ARG 33 0.307 12.745 -0.372
241 HH22 ARG 33 2HH2 ARG 33 -0.584 13.700 0.764
242 H THR 34 H THR 34 4.031 6.712 2.733
243 HA THR 34 HA THR 34 6.027 8.182 4.095
244 HB THR 34 HB THR 34 5.834 6.518 5.867
245 HG1 THR 34 HG1 THR 34 5.639 4.572 4.908
246 HG21 THR 34 3HG2 THR 34 3.898 7.432 6.492
247 HG22 THR 34 1HG2 THR 34 3.015 6.538 5.256
248 HG23 THR 34 2HG2 THR 34 3.750 8.092 4.863
249 H HIS 35 H HIS 35 6.132 5.390 2.047
250 HA HIS 35 HA HIS 35 8.483 4.163 2.878
251 HB2 HIS 35 1HB HIS 35 6.992 4.325 0.309
252 HB3 HIS 35 2HB HIS 35 8.647 3.728 0.245
253 HD1 HIS 35 HD1 HIS 35 9.012 1.785 2.313
254 HD2 HIS 35 HD2 HIS 35 5.265 2.281 0.588
255 HE1 HIS 35 HE1 HIS 35 7.768 -0.349 2.783
256 H THR 36 H THR 36 7.993 7.109 1.086
257 HA THR 36 HA THR 36 10.529 7.418 -0.054
258 HB THR 36 HB THR 36 8.905 9.726 1.000
259 HG1 THR 36 HG1 THR 36 8.050 9.456 -1.343
260 HG21 THR 36 3HG2 THR 36 10.122 9.806 -1.672
261 HG22 THR 36 1HG2 THR 36 11.275 9.678 -0.344
262 HG23 THR 36 2HG2 THR 36 10.125 11.015 -0.388
263 H GLY 37 H GLY 37 9.282 8.615 3.065
264 HA2 GLY 37 1HA GLY 37 10.752 8.386 5.015
265 HA3 GLY 37 2HA GLY 37 12.089 8.830 3.964
266 H GLU 38 H GLU 38 8.876 10.191 4.716
267 HA GLU 38 HA GLU 38 9.565 12.855 4.316
268 HB2 GLU 38 1HB GLU 38 7.571 13.415 5.603
269 HB3 GLU 38 2HB GLU 38 7.248 12.067 4.520
270 HG2 GLU 38 1HG GLU 38 7.437 10.505 6.359
271 HG3 GLU 38 2HG GLU 38 7.851 11.819 7.458
272 H SER 39 H SER 39 9.716 10.896 7.259
273 HA SER 39 HA SER 39 10.743 13.106 8.820
274 HB2 SER 39 1HB SER 39 9.252 11.463 9.873
275 HB3 SER 39 2HB SER 39 10.414 10.181 9.532
276 HG SER 39 HG SER 39 11.295 10.702 11.356
277 H GLY 40 H GLY 40 12.287 12.273 6.506
278 HA2 GLY 40 1HA GLY 40 14.481 11.930 5.929
279 HA3 GLY 40 2HA GLY 40 14.867 12.378 7.584
280 HA PRO 41 HA PRO 41 16.197 7.994 6.980
281 HB2 PRO 41 1HB PRO 41 18.565 8.298 8.273
282 HB3 PRO 41 2HB PRO 41 18.356 8.655 6.554
283 HG2 PRO 41 1HG PRO 41 18.381 10.529 8.888
284 HG3 PRO 41 2HG PRO 41 19.151 10.709 7.301
285 HD2 PRO 41 1HD PRO 41 16.819 11.930 7.936
286 HD3 PRO 41 2HD PRO 41 17.194 11.385 6.289
287 H SER 42 H SER 42 15.118 9.902 9.435
288 HA SER 42 HA SER 42 14.256 9.415 11.492
289 HB2 SER 42 1HB SER 42 13.705 7.243 12.009
290 HB3 SER 42 2HB SER 42 14.023 7.054 10.285
291 HG SER 42 HG SER 42 16.325 6.695 11.230
292 H SER 43 H SER 43 16.862 10.463 11.171
293 HA SER 43 HA SER 43 18.268 9.279 13.474
294 HB2 SER 43 1HB SER 43 20.335 10.250 12.549
295 HB3 SER 43 2HB SER 43 19.574 9.151 11.399
296 HG SER 43 HG SER 43 18.526 11.325 10.717
297 H GLY 44 H GLY 44 18.998 10.611 15.114
298 HA2 GLY 44 1HA GLY 44 19.032 13.419 15.054
299 HA3 GLY 44 2HA GLY 44 17.477 12.902 15.689
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.955 -27.900 -13.684
2 HA2 GLY 1 1HA GLY 1 2.206 -27.020 -16.214
3 HA3 GLY 1 2HA GLY 1 0.548 -27.593 -16.111
4 H SER 2 H SER 2 2.732 -25.022 -15.046
5 HA SER 2 HA SER 2 0.404 -23.286 -14.599
6 HB2 SER 2 1HB SER 2 2.084 -23.549 -12.750
7 HB3 SER 2 2HB SER 2 3.276 -22.776 -13.796
8 HG SER 2 HG SER 2 2.098 -20.904 -13.745
9 H SER 3 H SER 3 0.069 -22.968 -16.872
10 HA SER 3 HA SER 3 2.144 -21.579 -18.361
11 HB2 SER 3 1HB SER 3 -0.620 -22.546 -19.109
12 HB3 SER 3 2HB SER 3 0.410 -21.630 -20.208
13 HG SER 3 HG SER 3 1.057 -24.116 -18.998
14 H GLY 4 H GLY 4 1.262 -20.162 -16.119
15 HA2 GLY 4 1HA GLY 4 1.140 -17.667 -16.401
16 HA3 GLY 4 2HA GLY 4 -0.308 -17.980 -17.345
17 H SER 5 H SER 5 0.826 -19.314 -14.248
18 HA SER 5 HA SER 5 -1.627 -18.254 -13.006
19 HB2 SER 5 1HB SER 5 -0.340 -20.918 -12.366
20 HB3 SER 5 2HB SER 5 -1.844 -20.283 -11.699
21 HG SER 5 HG SER 5 -2.668 -21.386 -13.305
22 H SER 6 H SER 6 -0.414 -16.467 -12.239
23 HA SER 6 HA SER 6 1.925 -16.788 -10.645
24 HB2 SER 6 1HB SER 6 1.307 -14.696 -11.895
25 HB3 SER 6 2HB SER 6 0.049 -14.415 -10.692
26 HG SER 6 HG SER 6 2.651 -13.834 -10.548
27 H GLY 7 H GLY 7 2.013 -17.565 -8.651
28 HA2 GLY 7 1HA GLY 7 -0.420 -17.592 -7.019
29 HA3 GLY 7 2HA GLY 7 1.027 -18.549 -6.735
30 H THR 8 H THR 8 -0.625 -15.614 -6.073
31 HA THR 8 HA THR 8 1.629 -14.724 -4.393
32 HB THR 8 HB THR 8 -0.540 -12.968 -5.556
33 HG1 THR 8 HG1 THR 8 0.663 -13.181 -7.297
34 HG21 THR 8 3HG2 THR 8 0.205 -11.828 -3.690
35 HG22 THR 8 1HG2 THR 8 1.314 -11.231 -4.924
36 HG23 THR 8 2HG2 THR 8 1.835 -12.491 -3.805
37 H GLY 9 H GLY 9 -1.930 -14.546 -4.638
38 HA2 GLY 9 1HA GLY 9 -3.132 -15.579 -2.704
39 HA3 GLY 9 2HA GLY 9 -2.016 -14.679 -1.686
40 H MET 10 H MET 10 -4.437 -14.194 -0.989
41 HA MET 10 HA MET 10 -5.782 -12.187 -2.521
42 HB2 MET 10 1HB MET 10 -6.139 -13.202 0.297
43 HB3 MET 10 2HB MET 10 -7.142 -11.931 -0.390
44 HG2 MET 10 1HG MET 10 -8.210 -13.356 -1.828
45 HG3 MET 10 2HG MET 10 -6.868 -14.497 -1.866
46 HE1 MET 10 3HE MET 10 -9.921 -13.606 1.196
47 HE2 MET 10 1HE MET 10 -9.863 -13.159 -0.510
48 HE3 MET 10 2HE MET 10 -10.656 -14.655 -0.017
49 H LYS 11 H LYS 11 -4.416 -10.462 -2.859
50 HA LYS 11 HA LYS 11 -3.576 -8.983 -0.451
51 HB2 LYS 11 1HB LYS 11 -2.240 -9.481 -3.056
52 HB3 LYS 11 2HB LYS 11 -2.022 -7.888 -2.344
53 HG2 LYS 11 1HG LYS 11 -1.157 -8.912 -0.305
54 HG3 LYS 11 2HG LYS 11 -1.384 -10.514 -1.012
55 HD2 LYS 11 1HD LYS 11 0.396 -10.291 -2.424
56 HD3 LYS 11 2HD LYS 11 0.214 -8.540 -2.552
57 HE2 LYS 11 1HE LYS 11 2.096 -8.612 -1.273
58 HE3 LYS 11 2HE LYS 11 0.889 -8.667 0.011
59 HZ1 LYS 11 3HZ LYS 11 2.840 -10.381 -0.070
60 HZ2 LYS 11 1HZ LYS 11 1.820 -11.195 -1.146
61 HZ3 LYS 11 2HZ LYS 11 1.295 -10.859 0.427
62 HA PRO 12 HA PRO 12 -6.810 -6.390 -2.446
63 HB2 PRO 12 1HB PRO 12 -7.783 -5.430 -0.100
64 HB3 PRO 12 2HB PRO 12 -8.301 -6.970 -0.796
65 HG2 PRO 12 1HG PRO 12 -6.305 -6.447 1.373
66 HG3 PRO 12 2HG PRO 12 -7.563 -7.694 1.287
67 HD2 PRO 12 1HD PRO 12 -4.963 -8.206 0.730
68 HD3 PRO 12 2HD PRO 12 -6.297 -9.054 -0.077
69 H TYR 13 H TYR 13 -6.172 -4.815 0.577
70 HA TYR 13 HA TYR 13 -4.855 -2.631 -0.874
71 HB2 TYR 13 1HB TYR 13 -5.772 -2.315 1.945
72 HB3 TYR 13 2HB TYR 13 -5.774 -1.149 0.627
73 HD1 TYR 13 HD2 TYR 13 -7.496 -4.196 1.878
74 HD2 TYR 13 HD1 TYR 13 -7.727 -0.749 -0.606
75 HE1 TYR 13 HE2 TYR 13 -9.887 -4.634 1.503
76 HE2 TYR 13 HE1 TYR 13 -10.119 -1.176 -0.986
77 HH TYR 13 HH TYR 13 -11.819 -3.751 0.716
78 H VAL 14 H VAL 14 -3.676 -5.206 0.304
79 HA VAL 14 HA VAL 14 -1.950 -4.339 2.421
80 HB VAL 14 HB VAL 14 -1.775 -6.793 0.667
81 HG11 VAL 14 1HG1 VAL 14 -0.588 -6.846 3.347
82 HG12 VAL 14 2HG1 VAL 14 0.025 -7.481 1.819
83 HG13 VAL 14 3HG1 VAL 14 0.221 -5.772 2.208
84 HG21 VAL 14 3HG2 VAL 14 -3.791 -6.985 1.830
85 HG22 VAL 14 1HG2 VAL 14 -2.641 -7.865 2.836
86 HG23 VAL 14 2HG2 VAL 14 -3.133 -6.232 3.283
87 H CYS 15 H CYS 15 0.066 -3.532 2.320
88 HA CYS 15 HA CYS 15 1.027 -2.372 -0.049
89 HB2 CYS 15 1HB CYS 15 1.560 -1.915 2.507
90 HB3 CYS 15 2HB CYS 15 2.915 -2.991 2.179
91 H ASN 16 H ASN 16 1.994 -3.273 -1.733
92 HA ASN 16 HA ASN 16 2.993 -5.984 -1.569
93 HB2 ASN 16 1HB ASN 16 2.778 -4.048 -3.883
94 HB3 ASN 16 2HB ASN 16 3.360 -5.704 -4.030
95 HD21 ASN 16 1HD2 ASN 16 1.794 -6.602 -5.221
96 HD22 ASN 16 2HD2 ASN 16 0.132 -6.687 -4.760
97 H GLU 17 H GLU 17 4.415 -3.859 -0.134
98 HA GLU 17 HA GLU 17 7.049 -4.234 -1.386
99 HB2 GLU 17 1HB GLU 17 6.196 -1.703 0.026
100 HB3 GLU 17 2HB GLU 17 7.715 -1.992 -0.811
101 HG2 GLU 17 1HG GLU 17 5.198 -2.263 -2.357
102 HG3 GLU 17 2HG GLU 17 5.742 -0.644 -1.922
103 H CYS 18 H CYS 18 5.253 -3.497 1.575
104 HA CYS 18 HA CYS 18 7.466 -4.677 3.123
105 HB2 CYS 18 1HB CYS 18 6.603 -3.351 5.048
106 HB3 CYS 18 2HB CYS 18 7.177 -2.353 3.716
107 H GLY 19 H GLY 19 3.956 -4.462 2.772
108 HA2 GLY 19 1HA GLY 19 2.745 -6.600 2.919
109 HA3 GLY 19 2HA GLY 19 3.751 -6.977 4.310
110 H LYS 20 H LYS 20 2.765 -3.726 4.141
111 HA LYS 20 HA LYS 20 1.258 -3.937 6.547
112 HB2 LYS 20 1HB LYS 20 2.635 -1.935 5.599
113 HB3 LYS 20 2HB LYS 20 1.150 -1.542 4.743
114 HG2 LYS 20 1HG LYS 20 1.207 -0.270 6.754
115 HG3 LYS 20 2HG LYS 20 -0.031 -1.516 6.933
116 HD2 LYS 20 1HD LYS 20 1.262 -2.761 8.414
117 HD3 LYS 20 2HD LYS 20 2.765 -1.990 7.901
118 HE2 LYS 20 1HE LYS 20 0.577 -0.454 9.270
119 HE3 LYS 20 2HE LYS 20 1.806 -1.332 10.180
120 HZ1 LYS 20 3HZ LYS 20 2.947 0.304 8.137
121 HZ2 LYS 20 1HZ LYS 20 3.289 0.257 9.794
122 HZ3 LYS 20 2HZ LYS 20 2.019 1.215 9.219
123 H ALA 21 H ALA 21 -0.713 -4.784 6.630
124 HA ALA 21 HA ALA 21 -2.483 -4.635 4.325
125 HB1 ALA 21 3HB ALA 21 -3.627 -6.401 5.211
126 HB2 ALA 21 1HB ALA 21 -2.047 -6.671 5.946
127 HB3 ALA 21 2HB ALA 21 -3.334 -5.902 6.876
128 H PHE 22 H PHE 22 -4.413 -3.555 4.256
129 HA PHE 22 HA PHE 22 -5.155 -1.948 6.601
130 HB2 PHE 22 1HB PHE 22 -5.092 -0.926 3.754
131 HB3 PHE 22 2HB PHE 22 -5.602 -0.017 5.173
132 HD1 PHE 22 HD2 PHE 22 -3.983 0.824 6.761
133 HD2 PHE 22 HD1 PHE 22 -2.759 -1.366 3.323
134 HE1 PHE 22 HE2 PHE 22 -1.670 1.592 7.100
135 HE2 PHE 22 HE1 PHE 22 -0.444 -0.603 3.656
136 HZ PHE 22 HZ PHE 22 0.103 0.879 5.546
137 H ARG 23 H ARG 23 -7.370 -0.722 5.804
138 HA ARG 23 HA ARG 23 -9.189 -2.947 5.280
139 HB2 ARG 23 1HB ARG 23 -9.415 -1.294 7.248
140 HB3 ARG 23 2HB ARG 23 -10.009 -0.156 6.045
141 HG2 ARG 23 1HG ARG 23 -11.890 -1.496 5.563
142 HG3 ARG 23 2HG ARG 23 -11.220 -2.876 6.436
143 HD2 ARG 23 1HD ARG 23 -11.255 -1.206 8.460
144 HD3 ARG 23 2HD ARG 23 -12.474 -0.384 7.488
145 HE ARG 23 HE ARG 23 -13.932 -2.127 7.874
146 HH11 ARG 23 1HH1 ARG 23 -10.742 -2.968 8.986
147 HH12 ARG 23 2HH1 ARG 23 -11.268 -4.385 9.833
148 HH21 ARG 23 1HH2 ARG 23 -14.637 -3.991 8.984
149 HH22 ARG 23 2HH2 ARG 23 -13.484 -4.966 9.830
150 H SER 24 H SER 24 -8.354 0.254 4.044
151 HA SER 24 HA SER 24 -9.745 -0.432 1.546
152 HB2 SER 24 1HB SER 24 -10.996 1.250 3.052
153 HB3 SER 24 2HB SER 24 -9.721 2.386 2.611
154 HG SER 24 HG SER 24 -11.877 1.692 1.211
155 H LYS 25 H LYS 25 -9.093 1.362 -0.166
156 HA LYS 25 HA LYS 25 -6.293 1.063 -0.559
157 HB2 LYS 25 1HB LYS 25 -8.544 2.325 -2.036
158 HB3 LYS 25 2HB LYS 25 -6.920 2.870 -2.431
159 HG2 LYS 25 1HG LYS 25 -7.783 -0.012 -2.462
160 HG3 LYS 25 2HG LYS 25 -7.774 1.040 -3.879
161 HD2 LYS 25 1HD LYS 25 -5.282 0.845 -2.270
162 HD3 LYS 25 2HD LYS 25 -5.722 -0.532 -3.283
163 HE2 LYS 25 1HE LYS 25 -5.906 1.016 -5.213
164 HE3 LYS 25 2HE LYS 25 -5.335 2.323 -4.178
165 HZ1 LYS 25 3HZ LYS 25 -3.462 1.540 -5.326
166 HZ2 LYS 25 1HZ LYS 25 -3.853 -0.084 -5.058
167 HZ3 LYS 25 2HZ LYS 25 -3.324 0.881 -3.774
168 H SER 26 H SER 26 -8.337 3.918 0.041
169 HA SER 26 HA SER 26 -6.505 5.922 0.038
170 HB2 SER 26 1HB SER 26 -7.945 7.160 1.469
171 HB3 SER 26 2HB SER 26 -8.995 6.071 0.562
172 HG SER 26 HG SER 26 -8.455 4.665 2.588
173 H TYR 27 H TYR 27 -6.772 3.352 2.351
174 HA TYR 27 HA TYR 27 -5.071 4.600 4.314
175 HB2 TYR 27 1HB TYR 27 -6.488 1.998 4.047
176 HB3 TYR 27 2HB TYR 27 -5.081 2.045 5.103
177 HD1 TYR 27 HD1 TYR 27 -5.195 4.555 6.449
178 HD2 TYR 27 HD2 TYR 27 -8.417 2.022 5.308
179 HE1 TYR 27 HE1 TYR 27 -6.574 5.508 8.249
180 HE2 TYR 27 HE2 TYR 27 -9.806 2.969 7.104
181 HH TYR 27 HH TYR 27 -8.868 4.361 9.612
182 H LEU 28 H LEU 28 -4.735 2.207 1.753
183 HA LEU 28 HA LEU 28 -2.030 1.535 2.409
184 HB2 LEU 28 1HB LEU 28 -3.232 -0.133 1.286
185 HB3 LEU 28 2HB LEU 28 -3.818 0.993 0.064
186 HG LEU 28 HG LEU 28 -1.450 1.145 -0.779
187 HD11 LEU 28 1HD1 LEU 28 -0.568 0.171 1.442
188 HD12 LEU 28 2HD1 LEU 28 0.199 -0.321 -0.067
189 HD13 LEU 28 3HD1 LEU 28 -0.954 -1.394 0.726
190 HD21 LEU 28 3HD2 LEU 28 -1.855 -1.630 -1.244
191 HD22 LEU 28 1HD2 LEU 28 -2.214 -0.269 -2.306
192 HD23 LEU 28 2HD2 LEU 28 -3.432 -0.844 -1.168
193 H ILE 29 H ILE 29 -3.607 3.812 0.261
194 HA ILE 29 HA ILE 29 -1.318 4.521 -1.250
195 HB ILE 29 HB ILE 29 -3.798 6.149 -0.683
196 HG12 ILE 29 1HG1 ILE 29 -3.279 4.755 -3.270
197 HG13 ILE 29 2HG1 ILE 29 -3.830 3.792 -1.903
198 HG21 ILE 29 1HG2 ILE 29 -2.278 6.575 -3.164
199 HG22 ILE 29 2HG2 ILE 29 -3.075 7.737 -2.105
200 HG23 ILE 29 3HG2 ILE 29 -1.481 7.111 -1.684
201 HD11 ILE 29 3HD1 ILE 29 -5.808 5.181 -1.702
202 HD12 ILE 29 1HD1 ILE 29 -5.248 6.194 -3.032
203 HD13 ILE 29 2HD1 ILE 29 -5.676 4.508 -3.326
204 H ILE 30 H ILE 30 -2.873 6.026 1.573
205 HA ILE 30 HA ILE 30 -1.054 8.159 1.832
206 HB ILE 30 HB ILE 30 -1.874 8.306 4.185
207 HG12 ILE 30 1HG1 ILE 30 -4.011 6.716 4.428
208 HG13 ILE 30 2HG1 ILE 30 -3.019 5.667 3.422
209 HG21 ILE 30 1HG2 ILE 30 -4.051 9.053 3.604
210 HG22 ILE 30 2HG2 ILE 30 -3.023 9.333 2.199
211 HG23 ILE 30 3HG2 ILE 30 -4.128 7.959 2.223
212 HD11 ILE 30 3HD1 ILE 30 -1.741 5.099 5.140
213 HD12 ILE 30 1HD1 ILE 30 -1.507 6.781 5.617
214 HD13 ILE 30 2HD1 ILE 30 -2.928 5.896 6.172
215 H HIS 31 H HIS 31 -0.760 4.829 2.551
216 HA HIS 31 HA HIS 31 1.443 5.250 4.422
217 HB2 HIS 31 1HB HIS 31 0.201 3.490 5.238
218 HB3 HIS 31 2HB HIS 31 -0.241 2.917 3.632
219 HD1 HIS 31 HD1 HIS 31 2.103 2.330 6.370
220 HD2 HIS 31 HD2 HIS 31 1.902 1.456 2.313
221 HE1 HIS 31 HE1 HIS 31 3.807 0.520 5.987
222 H THR 32 H THR 32 0.802 4.109 1.167
223 HA THR 32 HA THR 32 3.371 3.045 0.642
224 HB THR 32 HB THR 32 1.400 4.182 -1.351
225 HG1 THR 32 HG1 THR 32 1.042 2.174 0.256
226 HG21 THR 32 3HG2 THR 32 2.839 1.980 -2.374
227 HG22 THR 32 1HG2 THR 32 4.020 3.062 -1.638
228 HG23 THR 32 2HG2 THR 32 2.929 3.665 -2.886
229 H ARG 33 H ARG 33 2.332 6.219 1.082
230 HA ARG 33 HA ARG 33 4.195 7.475 -0.724
231 HB2 ARG 33 1HB ARG 33 3.514 9.552 0.634
232 HB3 ARG 33 2HB ARG 33 2.282 8.766 -0.344
233 HG2 ARG 33 1HG ARG 33 1.103 8.053 1.460
234 HG3 ARG 33 2HG ARG 33 2.538 7.901 2.476
235 HD2 ARG 33 1HD ARG 33 2.627 10.244 2.847
236 HD3 ARG 33 2HD ARG 33 1.426 10.554 1.594
237 HE ARG 33 HE ARG 33 0.033 9.046 3.299
238 HH11 ARG 33 1HH1 ARG 33 2.114 11.785 3.837
239 HH12 ARG 33 2HH1 ARG 33 1.254 12.328 5.238
240 HH21 ARG 33 1HH2 ARG 33 -1.108 9.752 5.143
241 HH22 ARG 33 2HH2 ARG 33 -0.578 11.171 5.981
242 H THR 34 H THR 34 4.255 6.253 2.486
243 HA THR 34 HA THR 34 6.347 7.873 3.523
244 HB THR 34 HB THR 34 4.700 6.364 4.821
245 HG1 THR 34 HG1 THR 34 6.033 7.063 6.300
246 HG21 THR 34 3HG2 THR 34 5.474 4.321 3.472
247 HG22 THR 34 1HG2 THR 34 5.283 4.126 5.213
248 HG23 THR 34 2HG2 THR 34 6.892 4.330 4.520
249 H HIS 35 H HIS 35 6.268 5.166 1.395
250 HA HIS 35 HA HIS 35 8.949 4.277 1.856
251 HB2 HIS 35 1HB HIS 35 6.965 3.762 -0.358
252 HB3 HIS 35 2HB HIS 35 8.581 3.062 -0.348
253 HD1 HIS 35 HD1 HIS 35 9.060 1.211 1.399
254 HD2 HIS 35 HD2 HIS 35 5.155 2.628 1.443
255 HE1 HIS 35 HE1 HIS 35 7.762 -0.438 2.785
256 H THR 36 H THR 36 7.953 7.124 0.758
257 HA THR 36 HA THR 36 8.701 8.703 -0.733
258 HB THR 36 HB THR 36 11.477 7.681 -0.321
259 HG1 THR 36 HG1 THR 36 11.164 7.586 1.764
260 HG21 THR 36 3HG2 THR 36 10.094 10.334 -0.465
261 HG22 THR 36 1HG2 THR 36 11.470 9.741 -1.394
262 HG23 THR 36 2HG2 THR 36 11.678 10.198 0.297
263 H GLY 37 H GLY 37 7.841 6.488 -2.143
264 HA2 GLY 37 1HA GLY 37 9.702 6.549 -4.421
265 HA3 GLY 37 2HA GLY 37 9.092 5.003 -3.848
266 H GLU 38 H GLU 38 7.605 8.186 -4.465
267 HA GLU 38 HA GLU 38 5.113 7.361 -5.207
268 HB2 GLU 38 1HB GLU 38 4.976 9.422 -6.592
269 HB3 GLU 38 2HB GLU 38 5.627 9.704 -4.983
270 HG2 GLU 38 1HG GLU 38 7.858 9.846 -5.845
271 HG3 GLU 38 2HG GLU 38 7.311 9.376 -7.453
272 H SER 39 H SER 39 4.158 6.438 -6.935
273 HA SER 39 HA SER 39 5.747 5.031 -8.811
274 HB2 SER 39 1HB SER 39 3.386 4.459 -7.925
275 HB3 SER 39 2HB SER 39 2.805 5.557 -9.176
276 HG SER 39 HG SER 39 3.150 3.142 -9.611
277 H GLY 40 H GLY 40 3.677 7.903 -9.087
278 HA2 GLY 40 1HA GLY 40 4.632 9.700 -10.520
279 HA3 GLY 40 2HA GLY 40 4.954 8.438 -11.699
280 HA PRO 41 HA PRO 41 0.449 10.216 -11.820
281 HB2 PRO 41 1HB PRO 41 0.751 12.587 -13.106
282 HB3 PRO 41 2HB PRO 41 0.743 12.444 -11.344
283 HG2 PRO 41 1HG PRO 41 3.069 12.671 -13.216
284 HG3 PRO 41 2HG PRO 41 2.804 13.475 -11.658
285 HD2 PRO 41 1HD PRO 41 4.399 11.304 -11.923
286 HD3 PRO 41 2HD PRO 41 3.465 11.628 -10.448
287 H SER 42 H SER 42 3.074 10.717 -14.157
288 HA SER 42 HA SER 42 3.171 10.440 -16.425
289 HB2 SER 42 1HB SER 42 1.811 8.013 -15.341
290 HB3 SER 42 2HB SER 42 1.905 8.203 -17.092
291 HG SER 42 HG SER 42 4.284 8.770 -16.007
292 H SER 43 H SER 43 1.191 12.265 -15.691
293 HA SER 43 HA SER 43 -1.203 11.644 -17.205
294 HB2 SER 43 1HB SER 43 -2.087 13.698 -16.369
295 HB3 SER 43 2HB SER 43 -1.199 12.962 -15.035
296 HG SER 43 HG SER 43 0.495 14.472 -16.407
297 H GLY 44 H GLY 44 1.080 11.581 -18.798
298 HA2 GLY 44 1HA GLY 44 1.382 14.091 -20.181
299 HA3 GLY 44 2HA GLY 44 2.098 12.553 -20.639
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -2.238 -13.395 -18.237
2 HA2 GLY 1 1HA GLY 1 -3.218 -15.504 -17.781
3 HA3 GLY 1 2HA GLY 1 -2.272 -15.168 -16.338
4 H SER 2 H SER 2 -4.075 -16.802 -15.690
5 HA SER 2 HA SER 2 -6.583 -15.463 -15.034
6 HB2 SER 2 1HB SER 2 -6.549 -17.798 -15.971
7 HB3 SER 2 2HB SER 2 -5.793 -18.328 -14.469
8 HG SER 2 HG SER 2 -8.290 -18.266 -14.842
9 H SER 3 H SER 3 -7.242 -14.965 -12.997
10 HA SER 3 HA SER 3 -5.181 -14.976 -10.937
11 HB2 SER 3 1HB SER 3 -6.632 -12.938 -11.575
12 HB3 SER 3 2HB SER 3 -7.913 -13.737 -10.664
13 HG SER 3 HG SER 3 -6.153 -12.189 -9.655
14 H GLY 4 H GLY 4 -5.524 -15.770 -8.824
15 HA2 GLY 4 1HA GLY 4 -7.416 -16.825 -7.418
16 HA3 GLY 4 2HA GLY 4 -7.463 -17.982 -8.740
17 H SER 5 H SER 5 -6.594 -19.828 -8.084
18 HA SER 5 HA SER 5 -5.042 -20.371 -5.941
19 HB2 SER 5 1HB SER 5 -4.185 -22.358 -7.178
20 HB3 SER 5 2HB SER 5 -5.927 -22.143 -7.345
21 HG SER 5 HG SER 5 -4.231 -22.411 -9.279
22 H SER 6 H SER 6 -3.826 -19.435 -9.143
23 HA SER 6 HA SER 6 -1.284 -18.688 -7.861
24 HB2 SER 6 1HB SER 6 -1.154 -20.831 -9.229
25 HB3 SER 6 2HB SER 6 -1.463 -19.833 -10.651
26 HG SER 6 HG SER 6 0.414 -18.560 -9.846
27 H GLY 7 H GLY 7 -0.215 -16.885 -8.730
28 HA2 GLY 7 1HA GLY 7 -0.101 -15.248 -10.582
29 HA3 GLY 7 2HA GLY 7 -1.858 -15.273 -10.584
30 H THR 8 H THR 8 0.083 -13.057 -10.197
31 HA THR 8 HA THR 8 -0.031 -12.261 -7.461
32 HB THR 8 HB THR 8 1.695 -11.443 -9.068
33 HG1 THR 8 HG1 THR 8 1.884 -9.768 -7.783
34 HG21 THR 8 3HG2 THR 8 -0.264 -10.977 -10.804
35 HG22 THR 8 1HG2 THR 8 1.240 -10.056 -10.827
36 HG23 THR 8 2HG2 THR 8 -0.198 -9.379 -10.062
37 H GLY 9 H GLY 9 -1.338 -10.729 -6.468
38 HA2 GLY 9 1HA GLY 9 -3.033 -8.970 -6.695
39 HA3 GLY 9 2HA GLY 9 -3.736 -9.922 -7.994
40 H MET 10 H MET 10 -2.598 -11.000 -4.815
41 HA MET 10 HA MET 10 -5.260 -12.136 -4.343
42 HB2 MET 10 1HB MET 10 -2.984 -13.443 -4.212
43 HB3 MET 10 2HB MET 10 -2.893 -12.724 -2.610
44 HG2 MET 10 1HG MET 10 -3.846 -14.956 -2.529
45 HG3 MET 10 2HG MET 10 -5.011 -13.741 -2.009
46 HE1 MET 10 3HE MET 10 -7.968 -14.794 -3.591
47 HE2 MET 10 1HE MET 10 -7.098 -16.095 -2.777
48 HE3 MET 10 2HE MET 10 -7.007 -14.448 -2.153
49 H LYS 11 H LYS 11 -2.780 -10.127 -2.816
50 HA LYS 11 HA LYS 11 -4.263 -9.656 -0.430
51 HB2 LYS 11 1HB LYS 11 -1.777 -8.589 -1.659
52 HB3 LYS 11 2HB LYS 11 -2.567 -7.583 -0.452
53 HG2 LYS 11 1HG LYS 11 -1.143 -8.777 0.869
54 HG3 LYS 11 2HG LYS 11 -2.574 -9.808 0.938
55 HD2 LYS 11 1HD LYS 11 -0.792 -11.280 0.523
56 HD3 LYS 11 2HD LYS 11 -1.562 -11.053 -1.049
57 HE2 LYS 11 1HE LYS 11 0.152 -9.238 -1.472
58 HE3 LYS 11 2HE LYS 11 0.986 -9.815 -0.031
59 HZ1 LYS 11 3HZ LYS 11 2.012 -11.198 -1.425
60 HZ2 LYS 11 1HZ LYS 11 0.891 -10.951 -2.668
61 HZ3 LYS 11 2HZ LYS 11 0.570 -12.082 -1.451
62 HA PRO 12 HA PRO 12 -7.115 -6.649 -1.962
63 HB2 PRO 12 1HB PRO 12 -7.920 -5.659 0.435
64 HB3 PRO 12 2HB PRO 12 -8.440 -7.234 -0.178
65 HG2 PRO 12 1HG PRO 12 -6.288 -6.589 1.800
66 HG3 PRO 12 2HG PRO 12 -7.504 -7.878 1.851
67 HD2 PRO 12 1HD PRO 12 -4.944 -8.319 1.087
68 HD3 PRO 12 2HD PRO 12 -6.312 -9.232 0.416
69 H TYR 13 H TYR 13 -6.273 -4.978 0.959
70 HA TYR 13 HA TYR 13 -5.077 -2.829 -0.654
71 HB2 TYR 13 1HB TYR 13 -5.966 -2.324 2.139
72 HB3 TYR 13 2HB TYR 13 -6.049 -1.279 0.726
73 HD1 TYR 13 HD2 TYR 13 -7.609 -4.277 2.275
74 HD2 TYR 13 HD1 TYR 13 -8.050 -1.057 -0.471
75 HE1 TYR 13 HE2 TYR 13 -9.988 -4.838 2.008
76 HE2 TYR 13 HE1 TYR 13 -10.431 -1.609 -0.745
77 HH TYR 13 HH TYR 13 -12.181 -3.221 1.210
78 H VAL 14 H VAL 14 -3.850 -5.301 0.697
79 HA VAL 14 HA VAL 14 -2.130 -4.259 2.737
80 HB VAL 14 HB VAL 14 -1.713 -6.797 1.161
81 HG11 VAL 14 1HG1 VAL 14 -0.030 -5.669 2.898
82 HG12 VAL 14 2HG1 VAL 14 -1.054 -6.546 4.037
83 HG13 VAL 14 3HG1 VAL 14 -0.217 -7.417 2.751
84 HG21 VAL 14 3HG2 VAL 14 -3.982 -6.820 1.993
85 HG22 VAL 14 1HG2 VAL 14 -2.994 -7.923 2.950
86 HG23 VAL 14 2HG2 VAL 14 -3.432 -6.343 3.599
87 H CYS 15 H CYS 15 0.023 -3.709 2.613
88 HA CYS 15 HA CYS 15 0.917 -2.555 0.184
89 HB2 CYS 15 1HB CYS 15 1.519 -2.048 2.717
90 HB3 CYS 15 2HB CYS 15 2.842 -3.161 2.384
91 H ASN 16 H ASN 16 1.831 -3.517 -1.495
92 HA ASN 16 HA ASN 16 2.764 -6.248 -1.289
93 HB2 ASN 16 1HB ASN 16 2.418 -4.337 -3.596
94 HB3 ASN 16 2HB ASN 16 3.177 -5.914 -3.793
95 HD21 ASN 16 1HD2 ASN 16 1.867 -7.435 -4.466
96 HD22 ASN 16 2HD2 ASN 16 0.168 -7.529 -4.169
97 H GLU 17 H GLU 17 4.276 -4.183 0.099
98 HA GLU 17 HA GLU 17 6.875 -4.655 -1.184
99 HB2 GLU 17 1HB GLU 17 6.121 -2.041 0.128
100 HB3 GLU 17 2HB GLU 17 7.617 -2.413 -0.716
101 HG2 GLU 17 1HG GLU 17 6.132 -2.812 -2.766
102 HG3 GLU 17 2HG GLU 17 4.885 -1.966 -1.852
103 H CYS 18 H CYS 18 5.156 -3.703 1.765
104 HA CYS 18 HA CYS 18 7.353 -4.874 3.340
105 HB2 CYS 18 1HB CYS 18 6.495 -3.468 5.221
106 HB3 CYS 18 2HB CYS 18 7.106 -2.535 3.858
107 H GLY 19 H GLY 19 3.850 -4.666 2.966
108 HA2 GLY 19 1HA GLY 19 2.603 -6.758 3.219
109 HA3 GLY 19 2HA GLY 19 3.632 -7.120 4.597
110 H LYS 20 H LYS 20 2.649 -3.861 4.327
111 HA LYS 20 HA LYS 20 1.200 -3.995 6.784
112 HB2 LYS 20 1HB LYS 20 2.594 -2.038 5.882
113 HB3 LYS 20 2HB LYS 20 1.198 -1.659 4.881
114 HG2 LYS 20 1HG LYS 20 0.801 -0.309 6.675
115 HG3 LYS 20 2HG LYS 20 -0.074 -1.758 7.174
116 HD2 LYS 20 1HD LYS 20 1.632 -2.406 8.658
117 HD3 LYS 20 2HD LYS 20 2.796 -1.293 7.936
118 HE2 LYS 20 1HE LYS 20 0.321 -0.475 9.455
119 HE3 LYS 20 2HE LYS 20 1.951 -0.520 10.126
120 HZ1 LYS 20 3HZ LYS 20 1.014 1.196 7.891
121 HZ2 LYS 20 1HZ LYS 20 2.615 1.106 8.430
122 HZ3 LYS 20 2HZ LYS 20 1.411 1.706 9.454
123 H ALA 21 H ALA 21 -0.787 -4.796 6.920
124 HA ALA 21 HA ALA 21 -2.589 -4.674 4.638
125 HB1 ALA 21 3HB ALA 21 -3.456 -5.844 7.224
126 HB2 ALA 21 1HB ALA 21 -3.733 -6.404 5.574
127 HB3 ALA 21 2HB ALA 21 -2.166 -6.662 6.342
128 H PHE 22 H PHE 22 -4.088 -3.159 4.395
129 HA PHE 22 HA PHE 22 -4.871 -1.573 6.751
130 HB2 PHE 22 1HB PHE 22 -4.984 -0.685 3.865
131 HB3 PHE 22 2HB PHE 22 -5.222 0.311 5.297
132 HD1 PHE 22 HD1 PHE 22 -2.681 -1.767 3.558
133 HD2 PHE 22 HD2 PHE 22 -3.436 1.456 6.235
134 HE1 PHE 22 HE1 PHE 22 -0.283 -1.215 3.565
135 HE2 PHE 22 HE2 PHE 22 -1.040 2.013 6.245
136 HZ PHE 22 HZ PHE 22 0.540 0.678 4.908
137 H ARG 23 H ARG 23 -7.086 -0.563 6.525
138 HA ARG 23 HA ARG 23 -8.981 -2.662 6.010
139 HB2 ARG 23 1HB ARG 23 -9.258 0.173 7.001
140 HB3 ARG 23 2HB ARG 23 -10.644 -0.877 6.735
141 HG2 ARG 23 1HG ARG 23 -10.089 -2.276 8.487
142 HG3 ARG 23 2HG ARG 23 -8.394 -1.785 8.475
143 HD2 ARG 23 1HD ARG 23 -9.337 0.546 9.125
144 HD3 ARG 23 2HD ARG 23 -10.773 -0.361 9.598
145 HE ARG 23 HE ARG 23 -8.217 -0.324 10.934
146 HH11 ARG 23 1HH1 ARG 23 -11.213 -2.037 10.471
147 HH12 ARG 23 2HH1 ARG 23 -11.113 -2.884 11.979
148 HH21 ARG 23 1HH2 ARG 23 -8.074 -1.433 12.922
149 HH22 ARG 23 2HH2 ARG 23 -9.327 -2.539 13.373
150 H SER 24 H SER 24 -8.102 0.409 4.527
151 HA SER 24 HA SER 24 -9.779 -0.311 2.218
152 HB2 SER 24 1HB SER 24 -9.460 2.420 3.478
153 HB3 SER 24 2HB SER 24 -10.176 2.155 1.889
154 HG SER 24 HG SER 24 -11.223 1.711 4.393
155 H LYS 25 H LYS 25 -9.116 1.032 0.241
156 HA LYS 25 HA LYS 25 -6.343 0.549 -0.238
157 HB2 LYS 25 1HB LYS 25 -8.297 0.393 -1.904
158 HB3 LYS 25 2HB LYS 25 -8.157 2.141 -2.037
159 HG2 LYS 25 1HG LYS 25 -6.103 2.033 -3.077
160 HG3 LYS 25 2HG LYS 25 -5.745 0.429 -2.434
161 HD2 LYS 25 1HD LYS 25 -6.208 0.054 -4.698
162 HD3 LYS 25 2HD LYS 25 -7.707 -0.377 -3.872
163 HE2 LYS 25 1HE LYS 25 -8.481 1.989 -4.341
164 HE3 LYS 25 2HE LYS 25 -7.086 2.135 -5.408
165 HZ1 LYS 25 3HZ LYS 25 -9.555 1.106 -6.051
166 HZ2 LYS 25 1HZ LYS 25 -8.539 -0.243 -5.952
167 HZ3 LYS 25 2HZ LYS 25 -8.151 1.033 -6.992
168 H SER 26 H SER 26 -8.327 3.456 0.146
169 HA SER 26 HA SER 26 -6.397 5.372 -0.454
170 HB2 SER 26 1HB SER 26 -8.580 5.632 1.626
171 HB3 SER 26 2HB SER 26 -7.780 6.947 0.764
172 HG SER 26 HG SER 26 -9.462 6.691 -0.504
173 H TYR 27 H TYR 27 -6.908 3.492 2.444
174 HA TYR 27 HA TYR 27 -5.216 5.048 4.132
175 HB2 TYR 27 1HB TYR 27 -7.063 3.221 4.684
176 HB3 TYR 27 2HB TYR 27 -5.669 2.147 4.664
177 HD1 TYR 27 HD2 TYR 27 -5.935 5.663 5.869
178 HD2 TYR 27 HD1 TYR 27 -5.307 1.582 6.893
179 HE1 TYR 27 HE2 TYR 27 -5.393 6.331 8.173
180 HE2 TYR 27 HE1 TYR 27 -4.765 2.238 9.201
181 HH TYR 27 HH TYR 27 -5.064 5.586 10.277
182 H LEU 28 H LEU 28 -4.725 2.409 1.906
183 HA LEU 28 HA LEU 28 -2.018 1.914 2.817
184 HB2 LEU 28 1HB LEU 28 -3.035 -0.040 2.109
185 HB3 LEU 28 2HB LEU 28 -3.809 0.743 0.734
186 HG LEU 28 HG LEU 28 -1.466 0.939 -0.259
187 HD11 LEU 28 1HD1 LEU 28 -0.770 -1.341 1.539
188 HD12 LEU 28 2HD1 LEU 28 -0.474 0.317 2.062
189 HD13 LEU 28 3HD1 LEU 28 0.286 -0.292 0.593
190 HD21 LEU 28 3HD2 LEU 28 -3.374 -1.150 -0.259
191 HD22 LEU 28 1HD2 LEU 28 -1.774 -1.890 -0.276
192 HD23 LEU 28 2HD2 LEU 28 -2.217 -0.722 -1.520
193 H ILE 29 H ILE 29 -3.664 3.556 0.191
194 HA ILE 29 HA ILE 29 -1.440 3.985 -1.479
195 HB ILE 29 HB ILE 29 -3.904 5.702 -1.156
196 HG12 ILE 29 1HG1 ILE 29 -3.481 3.801 -3.420
197 HG13 ILE 29 2HG1 ILE 29 -3.979 3.146 -1.864
198 HG21 ILE 29 1HG2 ILE 29 -1.705 6.539 -2.365
199 HG22 ILE 29 2HG2 ILE 29 -2.354 5.568 -3.685
200 HG23 ILE 29 3HG2 ILE 29 -3.308 6.888 -3.010
201 HD11 ILE 29 3HD1 ILE 29 -5.509 5.452 -2.901
202 HD12 ILE 29 1HD1 ILE 29 -5.708 3.907 -3.728
203 HD13 ILE 29 2HD1 ILE 29 -6.053 4.035 -2.003
204 H ILE 30 H ILE 30 -2.689 5.751 1.293
205 HA ILE 30 HA ILE 30 -0.910 7.980 0.964
206 HB ILE 30 HB ILE 30 -1.690 8.693 3.174
207 HG12 ILE 30 1HG1 ILE 30 -3.705 7.134 3.994
208 HG13 ILE 30 2HG1 ILE 30 -2.704 5.896 3.242
209 HG21 ILE 30 1HG2 ILE 30 -3.029 9.295 1.265
210 HG22 ILE 30 2HG2 ILE 30 -3.867 7.745 1.318
211 HG23 ILE 30 3HG2 ILE 30 -4.093 8.914 2.619
212 HD11 ILE 30 3HD1 ILE 30 -0.809 6.687 4.656
213 HD12 ILE 30 1HD1 ILE 30 -1.952 7.735 5.495
214 HD13 ILE 30 2HD1 ILE 30 -2.157 5.984 5.550
215 H HIS 31 H HIS 31 -0.564 4.837 2.144
216 HA HIS 31 HA HIS 31 1.602 5.529 3.979
217 HB2 HIS 31 1HB HIS 31 0.415 3.841 4.990
218 HB3 HIS 31 2HB HIS 31 -0.032 3.092 3.460
219 HD1 HIS 31 HD1 HIS 31 2.062 2.551 6.292
220 HD2 HIS 31 HD2 HIS 31 2.402 1.810 2.218
221 HE1 HIS 31 HE1 HIS 31 3.859 0.805 6.074
222 H THR 32 H THR 32 1.034 3.983 0.878
223 HA THR 32 HA THR 32 3.597 2.892 0.488
224 HB THR 32 HB THR 32 1.578 2.353 -0.893
225 HG1 THR 32 HG1 THR 32 4.119 2.544 -1.629
226 HG21 THR 32 3HG2 THR 32 1.485 3.980 -2.974
227 HG22 THR 32 1HG2 THR 32 2.047 5.156 -1.787
228 HG23 THR 32 2HG2 THR 32 0.531 4.294 -1.525
229 H ARG 33 H ARG 33 2.416 6.132 0.285
230 HA ARG 33 HA ARG 33 4.498 7.146 -1.396
231 HB2 ARG 33 1HB ARG 33 3.666 9.374 -0.634
232 HB3 ARG 33 2HB ARG 33 2.417 8.340 -1.316
233 HG2 ARG 33 1HG ARG 33 1.685 7.749 0.947
234 HG3 ARG 33 2HG ARG 33 2.920 8.818 1.614
235 HD2 ARG 33 1HD ARG 33 0.652 9.657 -0.188
236 HD3 ARG 33 2HD ARG 33 0.713 9.887 1.558
237 HE ARG 33 HE ARG 33 2.938 11.045 0.150
238 HH11 ARG 33 1HH1 ARG 33 -0.322 11.537 1.268
239 HH12 ARG 33 2HH1 ARG 33 -0.193 13.264 1.288
240 HH21 ARG 33 1HH2 ARG 33 3.120 13.318 0.172
241 HH22 ARG 33 2HH2 ARG 33 1.765 14.277 0.664
242 H THR 34 H THR 34 3.902 7.097 2.097
243 HA THR 34 HA THR 34 6.026 8.649 2.959
244 HB THR 34 HB THR 34 5.877 7.516 5.091
245 HG1 THR 34 HG1 THR 34 4.798 5.476 3.510
246 HG21 THR 34 3HG2 THR 34 3.307 8.023 3.637
247 HG22 THR 34 1HG2 THR 34 4.085 8.986 4.892
248 HG23 THR 34 2HG2 THR 34 3.291 7.468 5.311
249 H HIS 35 H HIS 35 6.005 5.362 1.784
250 HA HIS 35 HA HIS 35 8.339 4.310 2.741
251 HB2 HIS 35 1HB HIS 35 6.846 4.025 0.188
252 HB3 HIS 35 2HB HIS 35 8.491 3.396 0.224
253 HD1 HIS 35 HD1 HIS 35 8.918 1.282 1.590
254 HD2 HIS 35 HD2 HIS 35 5.015 2.677 1.872
255 HE1 HIS 35 HE1 HIS 35 7.624 -0.561 2.710
256 H THR 36 H THR 36 7.950 6.808 0.319
257 HA THR 36 HA THR 36 10.328 6.919 -0.970
258 HB THR 36 HB THR 36 9.137 9.408 0.247
259 HG1 THR 36 HG1 THR 36 7.390 9.005 -0.862
260 HG21 THR 36 3HG2 THR 36 11.314 9.143 -1.329
261 HG22 THR 36 1HG2 THR 36 10.269 10.562 -1.337
262 HG23 THR 36 2HG2 THR 36 10.057 9.304 -2.555
263 H GLY 37 H GLY 37 9.720 8.061 2.334
264 HA2 GLY 37 1HA GLY 37 12.150 9.257 2.891
265 HA3 GLY 37 2HA GLY 37 11.164 8.423 4.083
266 H GLU 38 H GLU 38 11.379 5.973 4.028
267 HA GLU 38 HA GLU 38 14.102 5.313 4.444
268 HB2 GLU 38 1HB GLU 38 11.510 3.860 4.553
269 HB3 GLU 38 2HB GLU 38 12.971 2.893 4.413
270 HG2 GLU 38 1HG GLU 38 12.834 5.022 6.489
271 HG3 GLU 38 2HG GLU 38 11.986 3.499 6.752
272 H SER 39 H SER 39 15.146 5.757 2.463
273 HA SER 39 HA SER 39 14.505 3.923 0.255
274 HB2 SER 39 1HB SER 39 15.702 6.657 0.376
275 HB3 SER 39 2HB SER 39 16.194 5.588 -0.937
276 HG SER 39 HG SER 39 13.831 6.903 -0.546
277 H GLY 40 H GLY 40 15.662 2.107 0.418
278 HA2 GLY 40 1HA GLY 40 18.416 2.243 1.414
279 HA3 GLY 40 2HA GLY 40 17.455 0.783 1.232
280 HA PRO 41 HA PRO 41 19.415 -0.114 -2.579
281 HB2 PRO 41 1HB PRO 41 17.395 -1.206 -4.027
282 HB3 PRO 41 2HB PRO 41 18.157 -2.034 -2.664
283 HG2 PRO 41 1HG PRO 41 15.586 -0.502 -2.752
284 HG3 PRO 41 2HG PRO 41 15.941 -2.048 -1.959
285 HD2 PRO 41 1HD PRO 41 15.846 0.295 -0.606
286 HD3 PRO 41 2HD PRO 41 16.929 -1.033 -0.141
287 H SER 42 H SER 42 17.273 2.372 -2.304
288 HA SER 42 HA SER 42 16.419 3.975 -3.721
289 HB2 SER 42 1HB SER 42 19.251 3.707 -4.760
290 HB3 SER 42 2HB SER 42 18.202 5.105 -4.995
291 HG SER 42 HG SER 42 18.262 4.546 -2.401
292 H SER 43 H SER 43 15.637 1.471 -4.627
293 HA SER 43 HA SER 43 16.147 1.384 -7.491
294 HB2 SER 43 1HB SER 43 16.080 -0.716 -6.156
295 HB3 SER 43 2HB SER 43 14.380 -0.407 -5.805
296 HG SER 43 HG SER 43 15.071 -0.324 -8.478
297 H GLY 44 H GLY 44 14.505 1.518 -9.073
298 HA2 GLY 44 1HA GLY 44 11.936 1.771 -9.201
299 HA3 GLY 44 2HA GLY 44 12.245 3.201 -8.227
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.510 -29.657 18.031
2 HA2 GLY 1 1HA GLY 1 -9.826 -30.410 15.906
3 HA3 GLY 1 2HA GLY 1 -9.296 -28.738 16.002
4 H SER 2 H SER 2 -9.403 -31.321 14.019
5 HA SER 2 HA SER 2 -6.809 -31.310 12.859
6 HB2 SER 2 1HB SER 2 -8.563 -33.145 12.659
7 HB3 SER 2 2HB SER 2 -9.362 -32.123 11.465
8 HG SER 2 HG SER 2 -8.048 -33.200 10.186
9 H SER 3 H SER 3 -6.180 -30.481 10.805
10 HA SER 3 HA SER 3 -7.778 -28.702 9.292
11 HB2 SER 3 1HB SER 3 -7.324 -27.344 11.400
12 HB3 SER 3 2HB SER 3 -5.634 -27.309 10.899
13 HG SER 3 HG SER 3 -6.759 -26.552 8.786
14 H GLY 4 H GLY 4 -6.896 -28.398 7.315
15 HA2 GLY 4 1HA GLY 4 -4.227 -29.539 6.888
16 HA3 GLY 4 2HA GLY 4 -5.454 -29.300 5.653
17 H SER 5 H SER 5 -5.850 -27.135 4.892
18 HA SER 5 HA SER 5 -3.887 -25.104 5.578
19 HB2 SER 5 1HB SER 5 -2.684 -26.297 3.862
20 HB3 SER 5 2HB SER 5 -4.097 -26.303 2.808
21 HG SER 5 HG SER 5 -2.394 -24.174 3.493
22 H SER 6 H SER 6 -5.158 -23.423 5.988
23 HA SER 6 HA SER 6 -7.312 -22.803 4.075
24 HB2 SER 6 1HB SER 6 -7.297 -22.560 7.084
25 HB3 SER 6 2HB SER 6 -8.464 -21.708 6.073
26 HG SER 6 HG SER 6 -9.123 -23.748 5.262
27 H GLY 7 H GLY 7 -7.049 -20.937 3.050
28 HA2 GLY 7 1HA GLY 7 -6.768 -18.450 3.692
29 HA3 GLY 7 2HA GLY 7 -5.164 -18.979 4.177
30 H THR 8 H THR 8 -7.334 -18.513 1.458
31 HA THR 8 HA THR 8 -5.818 -19.377 -0.659
32 HB THR 8 HB THR 8 -7.408 -16.806 -0.650
33 HG1 THR 8 HG1 THR 8 -9.147 -18.196 -1.284
34 HG21 THR 8 3HG2 THR 8 -7.577 -18.399 -3.039
35 HG22 THR 8 1HG2 THR 8 -5.891 -18.048 -2.661
36 HG23 THR 8 2HG2 THR 8 -7.046 -16.728 -2.848
37 H GLY 9 H GLY 9 -5.695 -16.144 0.842
38 HA2 GLY 9 1HA GLY 9 -3.667 -14.966 1.227
39 HA3 GLY 9 2HA GLY 9 -2.899 -15.936 -0.021
40 H MET 10 H MET 10 -5.255 -13.351 0.515
41 HA MET 10 HA MET 10 -4.654 -12.365 -2.197
42 HB2 MET 10 1HB MET 10 -7.039 -13.120 -1.707
43 HB3 MET 10 2HB MET 10 -7.153 -11.734 -0.632
44 HG2 MET 10 1HG MET 10 -7.126 -10.221 -2.349
45 HG3 MET 10 2HG MET 10 -6.259 -11.304 -3.435
46 HE1 MET 10 3HE MET 10 -9.465 -9.524 -3.166
47 HE2 MET 10 1HE MET 10 -10.729 -10.747 -3.023
48 HE3 MET 10 2HE MET 10 -9.604 -10.482 -1.691
49 H LYS 11 H LYS 11 -4.367 -10.131 -2.485
50 HA LYS 11 HA LYS 11 -4.003 -8.565 -0.020
51 HB2 LYS 11 1HB LYS 11 -2.100 -8.895 -2.328
52 HB3 LYS 11 2HB LYS 11 -2.033 -7.484 -1.279
53 HG2 LYS 11 1HG LYS 11 -1.223 -8.661 0.489
54 HG3 LYS 11 2HG LYS 11 -2.032 -10.154 0.009
55 HD2 LYS 11 1HD LYS 11 -0.339 -9.942 -2.036
56 HD3 LYS 11 2HD LYS 11 0.594 -9.053 -0.830
57 HE2 LYS 11 1HE LYS 11 0.588 -10.930 0.653
58 HE3 LYS 11 2HE LYS 11 -0.550 -11.803 -0.373
59 HZ1 LYS 11 3HZ LYS 11 1.662 -12.636 -0.718
60 HZ2 LYS 11 1HZ LYS 11 2.248 -11.087 -1.061
61 HZ3 LYS 11 2HZ LYS 11 1.158 -11.832 -2.118
62 HA PRO 12 HA PRO 12 -6.754 -6.243 -2.880
63 HB2 PRO 12 1HB PRO 12 -8.277 -5.192 -0.895
64 HB3 PRO 12 2HB PRO 12 -8.569 -6.793 -1.584
65 HG2 PRO 12 1HG PRO 12 -7.152 -6.049 0.946
66 HG3 PRO 12 2HG PRO 12 -8.315 -7.356 0.658
67 HD2 PRO 12 1HD PRO 12 -5.641 -7.778 0.753
68 HD3 PRO 12 2HD PRO 12 -6.723 -8.734 -0.280
69 H TYR 13 H TYR 13 -5.812 -4.985 0.330
70 HA TYR 13 HA TYR 13 -4.828 -2.557 -1.018
71 HB2 TYR 13 1HB TYR 13 -5.737 -2.334 1.795
72 HB3 TYR 13 2HB TYR 13 -5.875 -1.182 0.471
73 HD1 TYR 13 HD2 TYR 13 -7.330 -4.299 1.859
74 HD2 TYR 13 HD1 TYR 13 -7.876 -0.986 -0.754
75 HE1 TYR 13 HE2 TYR 13 -9.693 -4.922 1.573
76 HE2 TYR 13 HE1 TYR 13 -10.240 -1.599 -1.046
77 HH TYR 13 HH TYR 13 -11.954 -2.850 -0.055
78 H VAL 14 H VAL 14 -3.662 -5.186 0.172
79 HA VAL 14 HA VAL 14 -1.944 -4.297 2.287
80 HB VAL 14 HB VAL 14 -1.819 -6.785 0.578
81 HG11 VAL 14 1HG1 VAL 14 -0.218 -7.663 2.090
82 HG12 VAL 14 2HG1 VAL 14 0.357 -6.059 1.630
83 HG13 VAL 14 3HG1 VAL 14 -0.416 -6.304 3.197
84 HG21 VAL 14 3HG2 VAL 14 -3.812 -6.315 2.171
85 HG22 VAL 14 1HG2 VAL 14 -3.018 -7.889 2.226
86 HG23 VAL 14 2HG2 VAL 14 -2.653 -6.674 3.451
87 H CYS 15 H CYS 15 0.179 -3.699 2.210
88 HA CYS 15 HA CYS 15 1.137 -2.518 -0.183
89 HB2 CYS 15 1HB CYS 15 1.655 -2.019 2.368
90 HB3 CYS 15 2HB CYS 15 2.994 -3.125 2.075
91 H ASN 16 H ASN 16 2.055 -3.498 -1.849
92 HA ASN 16 HA ASN 16 3.046 -6.206 -1.603
93 HB2 ASN 16 1HB ASN 16 2.953 -4.393 -4.024
94 HB3 ASN 16 2HB ASN 16 3.282 -6.123 -4.036
95 HD21 ASN 16 1HD2 ASN 16 1.597 -7.570 -3.550
96 HD22 ASN 16 2HD2 ASN 16 -0.059 -7.100 -3.702
97 H GLU 17 H GLU 17 4.491 -4.022 -0.269
98 HA GLU 17 HA GLU 17 7.111 -4.470 -1.524
99 HB2 GLU 17 1HB GLU 17 6.298 -1.865 -0.231
100 HB3 GLU 17 2HB GLU 17 7.794 -2.208 -1.089
101 HG2 GLU 17 1HG GLU 17 5.236 -2.534 -2.557
102 HG3 GLU 17 2HG GLU 17 5.805 -0.901 -2.219
103 H CYS 18 H CYS 18 5.265 -3.764 1.386
104 HA CYS 18 HA CYS 18 7.513 -4.803 2.985
105 HB2 CYS 18 1HB CYS 18 6.733 -3.387 4.841
106 HB3 CYS 18 2HB CYS 18 7.168 -2.425 3.432
107 H GLY 19 H GLY 19 4.014 -4.649 2.574
108 HA2 GLY 19 1HA GLY 19 2.778 -6.739 2.832
109 HA3 GLY 19 2HA GLY 19 3.814 -7.104 4.204
110 H LYS 20 H LYS 20 2.769 -3.853 3.922
111 HA LYS 20 HA LYS 20 1.324 -4.026 6.391
112 HB2 LYS 20 1HB LYS 20 2.735 -2.053 5.391
113 HB3 LYS 20 2HB LYS 20 1.221 -1.623 4.606
114 HG2 LYS 20 1HG LYS 20 1.342 -0.365 6.601
115 HG3 LYS 20 2HG LYS 20 0.155 -1.641 6.880
116 HD2 LYS 20 1HD LYS 20 1.994 -2.976 7.955
117 HD3 LYS 20 2HD LYS 20 3.006 -1.533 7.852
118 HE2 LYS 20 1HE LYS 20 2.169 -1.248 9.952
119 HE3 LYS 20 2HE LYS 20 0.909 -0.428 9.031
120 HZ1 LYS 20 3HZ LYS 20 0.327 -2.238 10.812
121 HZ2 LYS 20 1HZ LYS 20 0.617 -3.300 9.527
122 HZ3 LYS 20 2HZ LYS 20 -0.571 -2.104 9.385
123 H ALA 21 H ALA 21 -0.661 -4.842 6.482
124 HA ALA 21 HA ALA 21 -2.444 -4.647 4.190
125 HB1 ALA 21 3HB ALA 21 -3.685 -6.351 5.133
126 HB2 ALA 21 1HB ALA 21 -2.058 -6.726 5.703
127 HB3 ALA 21 2HB ALA 21 -3.208 -5.931 6.778
128 H PHE 22 H PHE 22 -4.386 -3.568 4.163
129 HA PHE 22 HA PHE 22 -5.069 -1.946 6.514
130 HB2 PHE 22 1HB PHE 22 -5.023 -0.908 3.672
131 HB3 PHE 22 2HB PHE 22 -5.490 0.002 5.106
132 HD1 PHE 22 HD1 PHE 22 -2.703 -1.406 3.210
133 HD2 PHE 22 HD2 PHE 22 -3.832 0.812 6.663
134 HE1 PHE 22 HE1 PHE 22 -0.368 -0.692 3.510
135 HE2 PHE 22 HE2 PHE 22 -1.499 1.531 6.968
136 HZ PHE 22 HZ PHE 22 0.237 0.779 5.391
137 H ARG 23 H ARG 23 -7.289 -0.785 5.988
138 HA ARG 23 HA ARG 23 -9.136 -2.944 5.384
139 HB2 ARG 23 1HB ARG 23 -9.603 -0.144 6.424
140 HB3 ARG 23 2HB ARG 23 -10.861 -1.354 6.210
141 HG2 ARG 23 1HG ARG 23 -9.376 -2.805 7.764
142 HG3 ARG 23 2HG ARG 23 -8.649 -1.260 8.211
143 HD2 ARG 23 1HD ARG 23 -11.622 -1.654 8.240
144 HD3 ARG 23 2HD ARG 23 -10.622 -2.136 9.610
145 HE ARG 23 HE ARG 23 -11.254 0.560 8.770
146 HH11 ARG 23 1HH1 ARG 23 -9.192 -1.492 10.683
147 HH12 ARG 23 2HH1 ARG 23 -8.704 -0.222 11.756
148 HH21 ARG 23 1HH2 ARG 23 -10.619 2.240 10.176
149 HH22 ARG 23 2HH2 ARG 23 -9.517 1.900 11.467
150 H SER 24 H SER 24 -8.301 0.265 4.165
151 HA SER 24 HA SER 24 -9.754 -0.382 1.692
152 HB2 SER 24 1HB SER 24 -10.531 1.929 1.514
153 HB3 SER 24 2HB SER 24 -11.099 1.213 3.022
154 HG SER 24 HG SER 24 -8.712 2.718 2.898
155 H LYS 25 H LYS 25 -9.004 0.839 -0.191
156 HA LYS 25 HA LYS 25 -6.229 0.735 -0.496
157 HB2 LYS 25 1HB LYS 25 -6.584 1.826 -2.650
158 HB3 LYS 25 2HB LYS 25 -7.805 0.590 -2.375
159 HG2 LYS 25 1HG LYS 25 -9.371 2.373 -1.653
160 HG3 LYS 25 2HG LYS 25 -8.150 3.567 -2.099
161 HD2 LYS 25 1HD LYS 25 -8.193 2.273 -4.389
162 HD3 LYS 25 2HD LYS 25 -9.797 1.786 -3.834
163 HE2 LYS 25 1HE LYS 25 -10.597 3.964 -3.838
164 HE3 LYS 25 2HE LYS 25 -8.981 4.664 -3.756
165 HZ1 LYS 25 3HZ LYS 25 -8.617 4.286 -5.999
166 HZ2 LYS 25 1HZ LYS 25 -10.241 4.760 -5.965
167 HZ3 LYS 25 2HZ LYS 25 -9.841 3.124 -6.122
168 H SER 26 H SER 26 -8.370 3.489 0.116
169 HA SER 26 HA SER 26 -6.640 5.596 -0.167
170 HB2 SER 26 1HB SER 26 -9.006 5.897 0.372
171 HB3 SER 26 2HB SER 26 -8.739 5.238 1.986
172 HG SER 26 HG SER 26 -8.218 7.176 2.567
173 H TYR 27 H TYR 27 -6.905 3.365 2.548
174 HA TYR 27 HA TYR 27 -5.115 4.745 4.262
175 HB2 TYR 27 1HB TYR 27 -6.375 2.051 4.204
176 HB3 TYR 27 2HB TYR 27 -4.939 2.246 5.203
177 HD1 TYR 27 HD1 TYR 27 -5.263 4.966 6.244
178 HD2 TYR 27 HD2 TYR 27 -8.159 1.898 5.687
179 HE1 TYR 27 HE1 TYR 27 -6.638 5.946 8.033
180 HE2 TYR 27 HE2 TYR 27 -9.542 2.871 7.473
181 HH TYR 27 HH TYR 27 -9.400 5.789 8.527
182 H LEU 28 H LEU 28 -4.708 2.108 1.938
183 HA LEU 28 HA LEU 28 -1.935 1.722 2.510
184 HB2 LEU 28 1HB LEU 28 -3.032 -0.139 1.619
185 HB3 LEU 28 2HB LEU 28 -3.783 0.806 0.336
186 HG LEU 28 HG LEU 28 -1.436 1.084 -0.616
187 HD11 LEU 28 1HD1 LEU 28 -0.922 -1.131 1.361
188 HD12 LEU 28 2HD1 LEU 28 -0.136 0.446 1.298
189 HD13 LEU 28 3HD1 LEU 28 0.139 -0.727 0.010
190 HD21 LEU 28 3HD2 LEU 28 -1.655 -1.662 -1.060
191 HD22 LEU 28 1HD2 LEU 28 -2.350 -0.364 -2.032
192 HD23 LEU 28 2HD2 LEU 28 -3.301 -1.110 -0.747
193 H ILE 29 H ILE 29 -3.725 3.911 0.558
194 HA ILE 29 HA ILE 29 -1.632 4.532 -1.294
195 HB ILE 29 HB ILE 29 -4.146 6.039 -0.572
196 HG12 ILE 29 1HG1 ILE 29 -3.651 4.706 -3.199
197 HG13 ILE 29 2HG1 ILE 29 -4.078 3.703 -1.817
198 HG21 ILE 29 1HG2 ILE 29 -1.839 6.884 -2.060
199 HG22 ILE 29 2HG2 ILE 29 -3.254 6.815 -3.109
200 HG23 ILE 29 3HG2 ILE 29 -3.293 7.790 -1.639
201 HD11 ILE 29 3HD1 ILE 29 -6.214 4.292 -1.937
202 HD12 ILE 29 1HD1 ILE 29 -5.819 6.004 -2.090
203 HD13 ILE 29 2HD1 ILE 29 -5.826 4.969 -3.519
204 H ILE 30 H ILE 30 -2.831 5.955 1.713
205 HA ILE 30 HA ILE 30 -1.010 8.171 1.629
206 HB ILE 30 HB ILE 30 -1.788 8.687 3.871
207 HG12 ILE 30 1HG1 ILE 30 -3.632 6.341 3.894
208 HG13 ILE 30 2HG1 ILE 30 -1.954 6.081 4.355
209 HG21 ILE 30 1HG2 ILE 30 -3.276 8.789 1.619
210 HG22 ILE 30 2HG2 ILE 30 -4.345 7.865 2.673
211 HG23 ILE 30 3HG2 ILE 30 -3.783 9.461 3.168
212 HD11 ILE 30 3HD1 ILE 30 -4.007 6.927 5.992
213 HD12 ILE 30 1HD1 ILE 30 -2.282 6.979 6.354
214 HD13 ILE 30 2HD1 ILE 30 -3.083 8.394 5.670
215 H HIS 31 H HIS 31 -0.722 4.909 2.462
216 HA HIS 31 HA HIS 31 1.464 5.355 4.345
217 HB2 HIS 31 1HB HIS 31 0.245 3.584 5.162
218 HB3 HIS 31 2HB HIS 31 -0.206 3.014 3.558
219 HD1 HIS 31 HD1 HIS 31 1.991 2.260 6.312
220 HD2 HIS 31 HD2 HIS 31 2.096 1.724 2.194
221 HE1 HIS 31 HE1 HIS 31 3.735 0.494 5.908
222 H THR 32 H THR 32 0.861 4.102 1.111
223 HA THR 32 HA THR 32 3.423 3.068 0.599
224 HB THR 32 HB THR 32 1.388 2.647 -0.804
225 HG1 THR 32 HG1 THR 32 3.494 2.161 -1.590
226 HG21 THR 32 3HG2 THR 32 1.215 4.413 -2.725
227 HG22 THR 32 1HG2 THR 32 1.889 5.508 -1.519
228 HG23 THR 32 2HG2 THR 32 0.363 4.681 -1.205
229 H ARG 33 H ARG 33 2.335 6.282 0.908
230 HA ARG 33 HA ARG 33 4.346 7.476 -0.775
231 HB2 ARG 33 1HB ARG 33 3.551 9.610 0.308
232 HB3 ARG 33 2HB ARG 33 2.316 8.697 -0.549
233 HG2 ARG 33 1HG ARG 33 1.357 7.921 1.470
234 HG3 ARG 33 2HG ARG 33 2.731 8.490 2.419
235 HD2 ARG 33 1HD ARG 33 1.096 10.409 0.805
236 HD3 ARG 33 2HD ARG 33 0.542 9.878 2.392
237 HE ARG 33 HE ARG 33 3.046 10.676 2.916
238 HH11 ARG 33 1HH1 ARG 33 0.443 12.187 1.167
239 HH12 ARG 33 2HH1 ARG 33 0.941 13.799 1.559
240 HH21 ARG 33 1HH2 ARG 33 3.712 12.794 3.440
241 HH22 ARG 33 2HH2 ARG 33 2.802 14.143 2.851
242 H THR 34 H THR 34 4.084 6.453 2.513
243 HA THR 34 HA THR 34 6.101 8.092 3.639
244 HB THR 34 HB THR 34 6.134 6.516 5.498
245 HG1 THR 34 HG1 THR 34 5.717 4.687 3.806
246 HG21 THR 34 3HG2 THR 34 3.310 6.869 4.489
247 HG22 THR 34 1HG2 THR 34 4.253 8.125 5.289
248 HG23 THR 34 2HG2 THR 34 3.816 6.658 6.165
249 H HIS 35 H HIS 35 6.176 5.188 1.743
250 HA HIS 35 HA HIS 35 8.704 4.201 2.442
251 HB2 HIS 35 1HB HIS 35 6.976 3.974 0.004
252 HB3 HIS 35 2HB HIS 35 8.619 3.342 -0.034
253 HD1 HIS 35 HD1 HIS 35 9.148 1.348 1.600
254 HD2 HIS 35 HD2 HIS 35 5.145 2.440 1.390
255 HE1 HIS 35 HE1 HIS 35 7.876 -0.556 2.639
256 H THR 36 H THR 36 7.759 6.916 0.519
257 HA THR 36 HA THR 36 10.561 7.317 -0.302
258 HB THR 36 HB THR 36 9.640 8.855 -2.051
259 HG1 THR 36 HG1 THR 36 7.387 8.456 -0.694
260 HG21 THR 36 3HG2 THR 36 8.802 7.041 -3.524
261 HG22 THR 36 1HG2 THR 36 8.731 5.976 -2.121
262 HG23 THR 36 2HG2 THR 36 10.283 6.608 -2.670
263 H GLY 37 H GLY 37 9.684 8.007 2.292
264 HA2 GLY 37 1HA GLY 37 9.399 10.931 2.188
265 HA3 GLY 37 2HA GLY 37 9.092 9.922 3.594
266 H GLU 38 H GLU 38 11.218 8.560 4.141
267 HA GLU 38 HA GLU 38 13.235 10.586 4.687
268 HB2 GLU 38 1HB GLU 38 12.557 9.285 6.581
269 HB3 GLU 38 2HB GLU 38 12.823 7.779 5.714
270 HG2 GLU 38 1HG GLU 38 14.669 7.909 7.086
271 HG3 GLU 38 2HG GLU 38 15.274 8.559 5.564
272 H SER 39 H SER 39 13.214 7.222 3.496
273 HA SER 39 HA SER 39 15.771 6.827 2.772
274 HB2 SER 39 1HB SER 39 13.403 6.188 0.995
275 HB3 SER 39 2HB SER 39 14.986 5.415 0.927
276 HG SER 39 HG SER 39 13.112 4.447 2.228
277 H GLY 40 H GLY 40 17.151 7.308 1.067
278 HA2 GLY 40 1HA GLY 40 16.663 9.874 -0.187
279 HA3 GLY 40 2HA GLY 40 18.152 8.943 -0.254
280 HA PRO 41 HA PRO 41 17.223 7.787 -4.378
281 HB2 PRO 41 1HB PRO 41 18.450 5.369 -4.523
282 HB3 PRO 41 2HB PRO 41 19.339 6.896 -4.474
283 HG2 PRO 41 1HG PRO 41 18.769 4.965 -2.260
284 HG3 PRO 41 2HG PRO 41 20.274 5.824 -2.635
285 HD2 PRO 41 1HD PRO 41 18.579 6.637 -0.685
286 HD3 PRO 41 2HD PRO 41 19.558 7.774 -1.636
287 H SER 42 H SER 42 15.302 7.167 -5.121
288 HA SER 42 HA SER 42 13.372 5.718 -3.884
289 HB2 SER 42 1HB SER 42 12.337 5.367 -6.049
290 HB3 SER 42 2HB SER 42 13.095 6.960 -6.031
291 HG SER 42 HG SER 42 13.490 5.617 -7.943
292 H SER 43 H SER 43 15.877 4.404 -6.029
293 HA SER 43 HA SER 43 15.198 1.811 -6.300
294 HB2 SER 43 1HB SER 43 17.851 3.112 -5.814
295 HB3 SER 43 2HB SER 43 17.759 1.352 -5.881
296 HG SER 43 HG SER 43 18.112 2.008 -7.946
297 H GLY 44 H GLY 44 15.717 -0.161 -5.150
298 HA2 GLY 44 1HA GLY 44 16.703 -0.672 -2.737
299 HA3 GLY 44 2HA GLY 44 15.209 0.142 -2.295
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -17.908 -30.485 -9.760
2 HA2 GLY 1 1HA GLY 1 -20.685 -29.915 -10.333
3 HA3 GLY 1 2HA GLY 1 -20.370 -30.334 -8.655
4 H SER 2 H SER 2 -18.798 -29.013 -7.483
5 HA SER 2 HA SER 2 -18.479 -26.312 -8.598
6 HB2 SER 2 1HB SER 2 -20.383 -26.104 -7.165
7 HB3 SER 2 2HB SER 2 -19.604 -27.038 -5.888
8 HG SER 2 HG SER 2 -19.369 -24.931 -5.315
9 H SER 3 H SER 3 -16.553 -25.369 -8.207
10 HA SER 3 HA SER 3 -14.713 -26.757 -6.369
11 HB2 SER 3 1HB SER 3 -12.892 -26.346 -7.875
12 HB3 SER 3 2HB SER 3 -14.197 -27.058 -8.823
13 HG SER 3 HG SER 3 -13.617 -24.284 -8.630
14 H GLY 4 H GLY 4 -12.752 -25.255 -5.872
15 HA2 GLY 4 1HA GLY 4 -13.208 -22.440 -5.845
16 HA3 GLY 4 2HA GLY 4 -13.601 -23.158 -4.290
17 H SER 5 H SER 5 -11.023 -22.725 -6.661
18 HA SER 5 HA SER 5 -8.872 -23.881 -5.495
19 HB2 SER 5 1HB SER 5 -7.500 -21.988 -6.406
20 HB3 SER 5 2HB SER 5 -8.636 -22.672 -7.568
21 HG SER 5 HG SER 5 -10.056 -20.924 -7.034
22 H SER 6 H SER 6 -8.147 -23.893 -3.483
23 HA SER 6 HA SER 6 -8.943 -22.199 -1.440
24 HB2 SER 6 1HB SER 6 -6.985 -23.090 -0.181
25 HB3 SER 6 2HB SER 6 -7.929 -24.353 -0.970
26 HG SER 6 HG SER 6 -5.679 -23.198 -2.222
27 H GLY 7 H GLY 7 -8.713 -20.052 -1.470
28 HA2 GLY 7 1HA GLY 7 -6.832 -18.563 -2.850
29 HA3 GLY 7 2HA GLY 7 -7.689 -17.997 -1.425
30 H THR 8 H THR 8 -4.723 -18.264 -2.648
31 HA THR 8 HA THR 8 -3.378 -19.185 -0.232
32 HB THR 8 HB THR 8 -1.281 -18.698 -1.577
33 HG1 THR 8 HG1 THR 8 -2.902 -18.692 -3.869
34 HG21 THR 8 3HG2 THR 8 -1.412 -20.734 -2.793
35 HG22 THR 8 1HG2 THR 8 -3.165 -20.619 -2.935
36 HG23 THR 8 2HG2 THR 8 -2.427 -20.944 -1.367
37 H GLY 9 H GLY 9 -4.886 -16.881 0.179
38 HA2 GLY 9 1HA GLY 9 -4.462 -14.997 1.504
39 HA3 GLY 9 2HA GLY 9 -2.777 -15.054 1.007
40 H MET 10 H MET 10 -5.688 -13.446 0.654
41 HA MET 10 HA MET 10 -5.024 -12.375 -1.986
42 HB2 MET 10 1HB MET 10 -7.346 -13.054 -1.602
43 HB3 MET 10 2HB MET 10 -7.458 -11.944 -0.243
44 HG2 MET 10 1HG MET 10 -8.502 -11.143 -2.365
45 HG3 MET 10 2HG MET 10 -7.311 -10.054 -1.656
46 HE1 MET 10 3HE MET 10 -8.136 -9.253 -3.961
47 HE2 MET 10 1HE MET 10 -6.758 -9.043 -5.042
48 HE3 MET 10 2HE MET 10 -7.999 -10.238 -5.419
49 H LYS 11 H LYS 11 -4.302 -10.345 -2.318
50 HA LYS 11 HA LYS 11 -4.007 -8.612 0.048
51 HB2 LYS 11 1HB LYS 11 -2.122 -9.235 -2.194
52 HB3 LYS 11 2HB LYS 11 -2.030 -7.669 -1.397
53 HG2 LYS 11 1HG LYS 11 -1.559 -8.688 0.709
54 HG3 LYS 11 2HG LYS 11 -1.879 -10.298 0.059
55 HD2 LYS 11 1HD LYS 11 0.210 -8.641 -1.260
56 HD3 LYS 11 2HD LYS 11 0.585 -9.357 0.310
57 HE2 LYS 11 1HE LYS 11 0.290 -11.541 -0.497
58 HE3 LYS 11 2HE LYS 11 -0.560 -10.986 -1.938
59 HZ1 LYS 11 3HZ LYS 11 1.592 -11.582 -2.627
60 HZ2 LYS 11 1HZ LYS 11 2.332 -10.773 -1.339
61 HZ3 LYS 11 2HZ LYS 11 1.596 -9.891 -2.580
62 HA PRO 12 HA PRO 12 -6.684 -6.343 -2.934
63 HB2 PRO 12 1HB PRO 12 -8.211 -5.189 -1.009
64 HB3 PRO 12 2HB PRO 12 -8.531 -6.806 -1.648
65 HG2 PRO 12 1HG PRO 12 -7.134 -6.008 0.878
66 HG3 PRO 12 2HG PRO 12 -8.323 -7.298 0.616
67 HD2 PRO 12 1HD PRO 12 -5.663 -7.778 0.767
68 HD3 PRO 12 2HD PRO 12 -6.751 -8.744 -0.250
69 H TYR 13 H TYR 13 -5.738 -5.009 0.244
70 HA TYR 13 HA TYR 13 -4.672 -2.654 -1.169
71 HB2 TYR 13 1HB TYR 13 -5.633 -2.283 1.607
72 HB3 TYR 13 2HB TYR 13 -5.730 -1.197 0.225
73 HD1 TYR 13 HD2 TYR 13 -7.255 -4.234 1.719
74 HD2 TYR 13 HD1 TYR 13 -7.718 -1.007 -1.014
75 HE1 TYR 13 HE2 TYR 13 -9.623 -4.829 1.426
76 HE2 TYR 13 HE1 TYR 13 -10.088 -1.592 -1.314
77 HH TYR 13 HH TYR 13 -11.390 -4.406 -0.604
78 H VAL 14 H VAL 14 -3.476 -5.204 -0.054
79 HA VAL 14 HA VAL 14 -1.880 -4.411 2.190
80 HB VAL 14 HB VAL 14 -1.635 -6.764 0.314
81 HG11 VAL 14 1HG1 VAL 14 -0.323 -7.371 2.684
82 HG12 VAL 14 2HG1 VAL 14 0.423 -7.033 1.121
83 HG13 VAL 14 3HG1 VAL 14 0.205 -5.734 2.295
84 HG21 VAL 14 3HG2 VAL 14 -2.289 -7.279 3.097
85 HG22 VAL 14 1HG2 VAL 14 -3.483 -6.254 2.302
86 HG23 VAL 14 2HG2 VAL 14 -3.089 -7.835 1.628
87 H CYS 15 H CYS 15 0.256 -3.803 2.249
88 HA CYS 15 HA CYS 15 1.257 -2.445 -0.063
89 HB2 CYS 15 1HB CYS 15 1.545 -1.893 2.492
90 HB3 CYS 15 2HB CYS 15 2.940 -2.960 2.359
91 H ASN 16 H ASN 16 2.023 -3.620 -1.707
92 HA ASN 16 HA ASN 16 3.203 -6.176 -1.448
93 HB2 ASN 16 1HB ASN 16 3.645 -4.345 -3.798
94 HB3 ASN 16 2HB ASN 16 3.541 -6.103 -3.782
95 HD21 ASN 16 1HD2 ASN 16 1.640 -7.032 -4.169
96 HD22 ASN 16 2HD2 ASN 16 0.133 -6.197 -4.298
97 H GLU 17 H GLU 17 4.403 -3.226 -0.587
98 HA GLU 17 HA GLU 17 7.159 -3.732 -1.367
99 HB2 GLU 17 1HB GLU 17 5.981 -1.489 0.283
100 HB3 GLU 17 2HB GLU 17 7.635 -1.571 -0.305
101 HG2 GLU 17 1HG GLU 17 5.344 -1.682 -2.218
102 HG3 GLU 17 2HG GLU 17 5.904 -0.140 -1.575
103 H CYS 18 H CYS 18 5.289 -3.368 1.637
104 HA CYS 18 HA CYS 18 7.445 -4.801 3.047
105 HB2 CYS 18 1HB CYS 18 6.607 -3.671 5.110
106 HB3 CYS 18 2HB CYS 18 7.256 -2.558 3.910
107 H GLY 19 H GLY 19 3.991 -4.516 2.514
108 HA2 GLY 19 1HA GLY 19 2.727 -6.609 2.471
109 HA3 GLY 19 2HA GLY 19 3.654 -7.117 3.874
110 H LYS 20 H LYS 20 2.919 -3.878 4.154
111 HA LYS 20 HA LYS 20 1.265 -4.213 6.388
112 HB2 LYS 20 1HB LYS 20 2.651 -2.143 5.454
113 HB3 LYS 20 2HB LYS 20 1.080 -1.696 4.803
114 HG2 LYS 20 1HG LYS 20 1.716 -2.210 7.701
115 HG3 LYS 20 2HG LYS 20 1.471 -0.632 6.948
116 HD2 LYS 20 1HD LYS 20 -0.829 -1.514 6.266
117 HD3 LYS 20 2HD LYS 20 -0.538 -2.818 7.419
118 HE2 LYS 20 1HE LYS 20 -0.573 -1.389 9.239
119 HE3 LYS 20 2HE LYS 20 -0.183 0.027 8.264
120 HZ1 LYS 20 3HZ LYS 20 -2.751 -1.143 8.866
121 HZ2 LYS 20 1HZ LYS 20 -2.546 -0.735 7.236
122 HZ3 LYS 20 2HZ LYS 20 -2.359 0.445 8.433
123 H ALA 21 H ALA 21 -0.717 -5.032 6.401
124 HA ALA 21 HA ALA 21 -2.437 -4.768 4.068
125 HB1 ALA 21 3HB ALA 21 -2.052 -6.779 5.932
126 HB2 ALA 21 1HB ALA 21 -3.629 -6.106 6.345
127 HB3 ALA 21 2HB ALA 21 -3.325 -6.706 4.714
128 H PHE 22 H PHE 22 -4.208 -3.509 3.941
129 HA PHE 22 HA PHE 22 -4.993 -2.011 6.354
130 HB2 PHE 22 1HB PHE 22 -5.050 -0.974 3.514
131 HB3 PHE 22 2HB PHE 22 -5.445 -0.070 4.972
132 HD1 PHE 22 HD1 PHE 22 -2.665 -1.868 3.289
133 HD2 PHE 22 HD2 PHE 22 -3.801 1.129 6.090
134 HE1 PHE 22 HE1 PHE 22 -0.317 -1.157 3.476
135 HE2 PHE 22 HE2 PHE 22 -1.455 1.846 6.281
136 HZ PHE 22 HZ PHE 22 0.290 0.703 4.972
137 H ARG 23 H ARG 23 -7.243 -0.890 5.849
138 HA ARG 23 HA ARG 23 -9.050 -3.089 5.228
139 HB2 ARG 23 1HB ARG 23 -10.690 -1.943 6.437
140 HB3 ARG 23 2HB ARG 23 -9.206 -1.569 7.303
141 HG2 ARG 23 1HG ARG 23 -10.122 0.507 7.201
142 HG3 ARG 23 2HG ARG 23 -9.205 0.521 5.693
143 HD2 ARG 23 1HD ARG 23 -11.241 1.262 4.948
144 HD3 ARG 23 2HD ARG 23 -11.424 -0.475 4.707
145 HE ARG 23 HE ARG 23 -12.335 0.403 7.278
146 HH11 ARG 23 1HH1 ARG 23 -13.201 0.053 3.925
147 HH12 ARG 23 2HH1 ARG 23 -14.903 -0.025 4.237
148 HH21 ARG 23 1HH2 ARG 23 -14.574 0.301 7.703
149 HH22 ARG 23 2HH2 ARG 23 -15.683 0.117 6.387
150 H SER 24 H SER 24 -8.018 -0.031 3.946
151 HA SER 24 HA SER 24 -9.610 -0.519 1.550
152 HB2 SER 24 1HB SER 24 -11.091 0.948 2.699
153 HB3 SER 24 2HB SER 24 -9.769 1.994 3.217
154 HG SER 24 HG SER 24 -10.969 1.755 0.689
155 H LYS 25 H LYS 25 -8.959 0.967 -0.245
156 HA LYS 25 HA LYS 25 -6.149 0.933 -0.553
157 HB2 LYS 25 1HB LYS 25 -6.592 2.136 -2.678
158 HB3 LYS 25 2HB LYS 25 -7.589 0.701 -2.478
159 HG2 LYS 25 1HG LYS 25 -9.441 2.164 -1.706
160 HG3 LYS 25 2HG LYS 25 -8.434 3.563 -2.085
161 HD2 LYS 25 1HD LYS 25 -8.239 2.407 -4.427
162 HD3 LYS 25 2HD LYS 25 -9.720 1.589 -3.922
163 HE2 LYS 25 1HE LYS 25 -9.335 4.580 -3.943
164 HE3 LYS 25 2HE LYS 25 -10.113 3.665 -5.233
165 HZ1 LYS 25 3HZ LYS 25 -11.414 4.747 -3.164
166 HZ2 LYS 25 1HZ LYS 25 -11.163 3.178 -2.581
167 HZ3 LYS 25 2HZ LYS 25 -11.980 3.417 -4.043
168 H SER 26 H SER 26 -8.457 3.576 -0.019
169 HA SER 26 HA SER 26 -6.681 5.713 -0.165
170 HB2 SER 26 1HB SER 26 -9.032 6.160 -0.102
171 HB3 SER 26 2HB SER 26 -9.206 5.355 1.457
172 HG SER 26 HG SER 26 -8.760 7.189 2.354
173 H TYR 27 H TYR 27 -6.909 3.243 2.168
174 HA TYR 27 HA TYR 27 -5.632 4.782 4.277
175 HB2 TYR 27 1HB TYR 27 -7.407 2.821 4.475
176 HB3 TYR 27 2HB TYR 27 -5.960 1.820 4.443
177 HD1 TYR 27 HD2 TYR 27 -6.504 5.155 6.014
178 HD2 TYR 27 HD1 TYR 27 -5.728 1.016 6.615
179 HE1 TYR 27 HE2 TYR 27 -6.168 5.573 8.414
180 HE2 TYR 27 HE1 TYR 27 -5.391 1.422 9.018
181 HH TYR 27 HH TYR 27 -6.275 4.317 10.533
182 H LEU 28 H LEU 28 -4.818 2.421 1.838
183 HA LEU 28 HA LEU 28 -2.158 1.986 2.910
184 HB2 LEU 28 1HB LEU 28 -2.947 0.050 1.950
185 HB3 LEU 28 2HB LEU 28 -3.747 0.905 0.632
186 HG LEU 28 HG LEU 28 -1.399 1.390 -0.249
187 HD11 LEU 28 1HD1 LEU 28 -0.465 0.556 2.060
188 HD12 LEU 28 2HD1 LEU 28 0.426 0.277 0.564
189 HD13 LEU 28 3HD1 LEU 28 -0.538 -1.020 1.271
190 HD21 LEU 28 3HD2 LEU 28 -1.391 -1.379 -0.666
191 HD22 LEU 28 1HD2 LEU 28 -2.115 -0.139 -1.690
192 HD23 LEU 28 2HD2 LEU 28 -3.083 -0.930 -0.446
193 H ILE 29 H ILE 29 -3.720 3.843 0.395
194 HA ILE 29 HA ILE 29 -1.477 4.521 -1.140
195 HB ILE 29 HB ILE 29 -3.969 6.147 -0.623
196 HG12 ILE 29 1HG1 ILE 29 -3.437 4.642 -3.147
197 HG13 ILE 29 2HG1 ILE 29 -3.964 3.738 -1.732
198 HG21 ILE 29 1HG2 ILE 29 -3.082 6.847 -3.105
199 HG22 ILE 29 2HG2 ILE 29 -2.809 7.776 -1.632
200 HG23 ILE 29 3HG2 ILE 29 -1.570 6.666 -2.216
201 HD11 ILE 29 3HD1 ILE 29 -5.514 5.252 -3.568
202 HD12 ILE 29 1HD1 ILE 29 -6.052 4.272 -2.205
203 HD13 ILE 29 2HD1 ILE 29 -5.661 5.975 -1.967
204 H ILE 30 H ILE 30 -2.837 5.995 1.767
205 HA ILE 30 HA ILE 30 -1.062 8.225 1.787
206 HB ILE 30 HB ILE 30 -1.847 8.608 4.074
207 HG12 ILE 30 1HG1 ILE 30 -3.691 6.267 3.910
208 HG13 ILE 30 2HG1 ILE 30 -2.023 5.976 4.389
209 HG21 ILE 30 1HG2 ILE 30 -3.426 8.538 1.732
210 HG22 ILE 30 2HG2 ILE 30 -4.451 8.027 3.073
211 HG23 ILE 30 3HG2 ILE 30 -3.613 9.577 3.145
212 HD11 ILE 30 3HD1 ILE 30 -2.273 7.009 6.384
213 HD12 ILE 30 1HD1 ILE 30 -3.460 8.159 5.769
214 HD13 ILE 30 2HD1 ILE 30 -3.944 6.503 6.136
215 H HIS 31 H HIS 31 -0.688 4.947 2.574
216 HA HIS 31 HA HIS 31 1.502 5.431 4.444
217 HB2 HIS 31 1HB HIS 31 0.313 3.630 5.251
218 HB3 HIS 31 2HB HIS 31 -0.106 3.049 3.643
219 HD1 HIS 31 HD1 HIS 31 1.809 2.055 6.402
220 HD2 HIS 31 HD2 HIS 31 2.527 2.136 2.311
221 HE1 HIS 31 HE1 HIS 31 3.681 0.421 6.016
222 H THR 32 H THR 32 0.922 3.924 1.285
223 HA THR 32 HA THR 32 3.405 2.956 0.673
224 HB THR 32 HB THR 32 1.570 4.431 -1.226
225 HG1 THR 32 HG1 THR 32 1.729 1.706 -0.415
226 HG21 THR 32 3HG2 THR 32 2.657 3.131 -2.981
227 HG22 THR 32 1HG2 THR 32 3.731 2.397 -1.791
228 HG23 THR 32 2HG2 THR 32 3.837 4.125 -2.127
229 H ARG 33 H ARG 33 2.305 6.309 0.467
230 HA ARG 33 HA ARG 33 4.456 7.449 -0.850
231 HB2 ARG 33 1HB ARG 33 3.879 9.531 0.462
232 HB3 ARG 33 2HB ARG 33 2.547 8.795 -0.420
233 HG2 ARG 33 1HG ARG 33 1.887 7.667 1.726
234 HG3 ARG 33 2HG ARG 33 3.084 8.681 2.534
235 HD2 ARG 33 1HD ARG 33 0.938 9.730 2.737
236 HD3 ARG 33 2HD ARG 33 1.921 10.679 1.623
237 HE ARG 33 HE ARG 33 0.237 8.736 0.333
238 HH11 ARG 33 1HH1 ARG 33 0.447 11.978 1.584
239 HH12 ARG 33 2HH1 ARG 33 -0.826 12.588 0.579
240 HH21 ARG 33 1HH2 ARG 33 -1.440 9.528 -0.996
241 HH22 ARG 33 2HH2 ARG 33 -1.899 11.193 -0.888
242 H THR 34 H THR 34 4.125 6.567 2.545
243 HA THR 34 HA THR 34 6.341 7.828 3.622
244 HB THR 34 HB THR 34 6.306 6.214 5.393
245 HG1 THR 34 HG1 THR 34 5.234 4.570 3.404
246 HG21 THR 34 3HG2 THR 34 4.375 7.741 5.268
247 HG22 THR 34 1HG2 THR 34 3.953 6.199 6.010
248 HG23 THR 34 2HG2 THR 34 3.493 6.529 4.339
249 H HIS 35 H HIS 35 6.200 5.178 1.424
250 HA HIS 35 HA HIS 35 8.872 4.231 1.974
251 HB2 HIS 35 1HB HIS 35 6.815 3.559 -0.124
252 HB3 HIS 35 2HB HIS 35 8.444 2.890 -0.168
253 HD1 HIS 35 HD1 HIS 35 9.120 1.417 1.985
254 HD2 HIS 35 HD2 HIS 35 5.074 2.227 1.499
255 HE1 HIS 35 HE1 HIS 35 7.922 -0.243 3.446
256 H THR 36 H THR 36 8.156 7.058 0.967
257 HA THR 36 HA THR 36 9.669 7.143 -1.523
258 HB THR 36 HB THR 36 7.641 8.510 -1.381
259 HG1 THR 36 HG1 THR 36 9.155 9.393 -2.722
260 HG21 THR 36 3HG2 THR 36 8.823 10.493 0.442
261 HG22 THR 36 1HG2 THR 36 8.331 8.982 1.205
262 HG23 THR 36 2HG2 THR 36 7.156 9.936 0.299
263 H GLY 37 H GLY 37 10.032 7.861 1.861
264 HA2 GLY 37 1HA GLY 37 12.861 8.420 1.408
265 HA3 GLY 37 2HA GLY 37 11.927 9.682 2.197
266 H GLU 38 H GLU 38 13.979 7.226 2.786
267 HA GLU 38 HA GLU 38 13.080 7.016 5.557
268 HB2 GLU 38 1HB GLU 38 13.372 4.740 3.644
269 HB3 GLU 38 2HB GLU 38 13.816 4.490 5.326
270 HG2 GLU 38 1HG GLU 38 11.669 4.681 6.072
271 HG3 GLU 38 2HG GLU 38 11.181 5.723 4.737
272 H SER 39 H SER 39 14.789 5.966 6.941
273 HA SER 39 HA SER 39 17.116 7.328 6.984
274 HB2 SER 39 1HB SER 39 18.101 5.434 8.276
275 HB3 SER 39 2HB SER 39 16.479 5.871 8.814
276 HG SER 39 HG SER 39 15.907 4.114 7.144
277 H GLY 40 H GLY 40 16.707 4.153 5.415
278 HA2 GLY 40 1HA GLY 40 18.423 4.818 3.255
279 HA3 GLY 40 2HA GLY 40 19.288 3.846 4.437
280 HA PRO 41 HA PRO 41 17.764 0.292 2.339
281 HB2 PRO 41 1HB PRO 41 18.196 -1.548 4.288
282 HB3 PRO 41 2HB PRO 41 19.500 -0.844 3.325
283 HG2 PRO 41 1HG PRO 41 18.578 -0.125 6.081
284 HG3 PRO 41 2HG PRO 41 20.232 -0.296 5.463
285 HD2 PRO 41 1HD PRO 41 19.037 2.113 5.783
286 HD3 PRO 41 2HD PRO 41 20.222 1.797 4.499
287 H SER 42 H SER 42 16.311 -1.679 2.892
288 HA SER 42 HA SER 42 14.072 -0.808 4.595
289 HB2 SER 42 1HB SER 42 13.860 -2.111 1.870
290 HB3 SER 42 2HB SER 42 12.503 -1.732 2.930
291 HG SER 42 HG SER 42 13.039 -0.153 1.225
292 H SER 43 H SER 43 15.656 -3.538 2.984
293 HA SER 43 HA SER 43 14.313 -5.435 4.732
294 HB2 SER 43 1HB SER 43 16.218 -5.750 2.412
295 HB3 SER 43 2HB SER 43 15.705 -7.114 3.405
296 HG SER 43 HG SER 43 13.669 -6.901 2.677
297 H GLY 44 H GLY 44 17.684 -4.585 3.922
298 HA2 GLY 44 1HA GLY 44 18.538 -4.606 6.621
299 HA3 GLY 44 2HA GLY 44 18.933 -6.143 5.866
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -17.100 -26.210 -3.572
2 HA2 GLY 1 1HA GLY 1 -16.494 -28.053 -5.314
3 HA3 GLY 1 2HA GLY 1 -17.138 -26.862 -6.434
4 H SER 2 H SER 2 -15.506 -25.958 -7.492
5 HA SER 2 HA SER 2 -12.959 -25.525 -6.132
6 HB2 SER 2 1HB SER 2 -12.964 -26.591 -8.369
7 HB3 SER 2 2HB SER 2 -13.682 -25.130 -9.046
8 HG SER 2 HG SER 2 -11.796 -24.005 -8.305
9 H SER 3 H SER 3 -15.064 -23.631 -8.305
10 HA SER 3 HA SER 3 -15.357 -21.378 -8.530
11 HB2 SER 3 1HB SER 3 -16.394 -22.069 -6.204
12 HB3 SER 3 2HB SER 3 -15.085 -21.074 -5.564
13 HG SER 3 HG SER 3 -17.350 -20.340 -6.989
14 H GLY 4 H GLY 4 -12.705 -22.126 -8.897
15 HA2 GLY 4 1HA GLY 4 -11.070 -20.299 -9.354
16 HA3 GLY 4 2HA GLY 4 -11.256 -19.865 -7.662
17 H SER 5 H SER 5 -8.780 -20.155 -8.175
18 HA SER 5 HA SER 5 -7.915 -22.920 -7.961
19 HB2 SER 5 1HB SER 5 -6.713 -21.244 -9.399
20 HB3 SER 5 2HB SER 5 -6.214 -20.418 -7.923
21 HG SER 5 HG SER 5 -4.955 -22.354 -9.069
22 H SER 6 H SER 6 -7.413 -23.918 -6.123
23 HA SER 6 HA SER 6 -8.008 -22.917 -3.614
24 HB2 SER 6 1HB SER 6 -6.040 -25.106 -4.322
25 HB3 SER 6 2HB SER 6 -6.718 -24.830 -2.717
26 HG SER 6 HG SER 6 -8.085 -26.276 -3.525
27 H GLY 7 H GLY 7 -7.145 -21.095 -2.820
28 HA2 GLY 7 1HA GLY 7 -4.971 -20.664 -1.479
29 HA3 GLY 7 2HA GLY 7 -4.246 -20.675 -3.080
30 H THR 8 H THR 8 -3.696 -18.466 -1.958
31 HA THR 8 HA THR 8 -5.492 -16.508 -3.177
32 HB THR 8 HB THR 8 -4.449 -16.128 -0.368
33 HG1 THR 8 HG1 THR 8 -6.758 -17.342 -1.327
34 HG21 THR 8 3HG2 THR 8 -6.629 -14.483 -0.793
35 HG22 THR 8 1HG2 THR 8 -5.763 -14.423 -2.327
36 HG23 THR 8 2HG2 THR 8 -4.936 -13.992 -0.831
37 H GLY 9 H GLY 9 -4.482 -14.651 -3.910
38 HA2 GLY 9 1HA GLY 9 -1.583 -14.439 -3.435
39 HA3 GLY 9 2HA GLY 9 -2.201 -14.451 -5.081
40 H MET 10 H MET 10 -3.474 -12.677 -5.808
41 HA MET 10 HA MET 10 -2.557 -10.190 -5.392
42 HB2 MET 10 1HB MET 10 -5.383 -11.047 -5.995
43 HB3 MET 10 2HB MET 10 -4.889 -9.359 -6.011
44 HG2 MET 10 1HG MET 10 -3.274 -9.822 -7.757
45 HG3 MET 10 2HG MET 10 -3.691 -11.533 -7.712
46 HE1 MET 10 3HE MET 10 -5.788 -8.055 -7.943
47 HE2 MET 10 1HE MET 10 -4.370 -8.095 -8.991
48 HE3 MET 10 2HE MET 10 -5.987 -8.128 -9.694
49 H LYS 11 H LYS 11 -2.405 -8.835 -3.739
50 HA LYS 11 HA LYS 11 -3.925 -9.343 -1.316
51 HB2 LYS 11 1HB LYS 11 -1.675 -7.433 -1.954
52 HB3 LYS 11 2HB LYS 11 -2.469 -7.503 -0.386
53 HG2 LYS 11 1HG LYS 11 -1.150 -9.887 -1.652
54 HG3 LYS 11 2HG LYS 11 -0.298 -8.761 -0.592
55 HD2 LYS 11 1HD LYS 11 -1.991 -9.222 1.166
56 HD3 LYS 11 2HD LYS 11 -2.708 -10.438 0.106
57 HE2 LYS 11 1HE LYS 11 0.205 -10.574 0.741
58 HE3 LYS 11 2HE LYS 11 -0.966 -11.124 1.937
59 HZ1 LYS 11 3HZ LYS 11 0.021 -12.691 0.043
60 HZ2 LYS 11 1HZ LYS 11 -1.341 -12.106 -0.773
61 HZ3 LYS 11 2HZ LYS 11 -1.521 -12.909 0.704
62 HA PRO 12 HA PRO 12 -6.968 -6.243 -2.046
63 HB2 PRO 12 1HB PRO 12 -7.725 -5.784 0.520
64 HB3 PRO 12 2HB PRO 12 -8.173 -7.246 -0.367
65 HG2 PRO 12 1HG PRO 12 -5.979 -6.839 1.629
66 HG3 PRO 12 2HG PRO 12 -7.109 -8.196 1.470
67 HD2 PRO 12 1HD PRO 12 -4.563 -8.305 0.554
68 HD3 PRO 12 2HD PRO 12 -5.899 -9.167 -0.235
69 H TYR 13 H TYR 13 -6.099 -5.102 1.113
70 HA TYR 13 HA TYR 13 -5.109 -2.610 -0.096
71 HB2 TYR 13 1HB TYR 13 -5.918 -2.701 2.765
72 HB3 TYR 13 2HB TYR 13 -6.118 -1.415 1.580
73 HD1 TYR 13 HD2 TYR 13 -7.435 -4.746 2.575
74 HD2 TYR 13 HD1 TYR 13 -8.171 -1.110 0.491
75 HE1 TYR 13 HE2 TYR 13 -9.784 -5.404 2.267
76 HE2 TYR 13 HE1 TYR 13 -10.523 -1.758 0.178
77 HH TYR 13 HH TYR 13 -11.756 -4.234 0.115
78 H VAL 14 H VAL 14 -3.872 -5.319 1.095
79 HA VAL 14 HA VAL 14 -2.014 -4.338 3.043
80 HB VAL 14 HB VAL 14 -2.059 -6.914 1.468
81 HG11 VAL 14 1HG1 VAL 14 -0.537 -7.211 3.809
82 HG12 VAL 14 2HG1 VAL 14 0.029 -7.268 2.139
83 HG13 VAL 14 3HG1 VAL 14 0.044 -5.743 3.025
84 HG21 VAL 14 3HG2 VAL 14 -3.721 -6.109 3.477
85 HG22 VAL 14 1HG2 VAL 14 -3.344 -7.787 3.085
86 HG23 VAL 14 2HG2 VAL 14 -2.460 -6.961 4.368
87 H CYS 15 H CYS 15 0.061 -3.681 2.791
88 HA CYS 15 HA CYS 15 0.882 -2.668 0.284
89 HB2 CYS 15 1HB CYS 15 1.554 -2.026 2.767
90 HB3 CYS 15 2HB CYS 15 2.877 -3.145 2.453
91 H ASN 16 H ASN 16 1.792 -3.685 -1.367
92 HA ASN 16 HA ASN 16 2.730 -6.406 -1.062
93 HB2 ASN 16 1HB ASN 16 2.618 -4.657 -3.531
94 HB3 ASN 16 2HB ASN 16 2.923 -6.392 -3.504
95 HD21 ASN 16 1HD2 ASN 16 1.193 -7.135 -4.572
96 HD22 ASN 16 2HD2 ASN 16 -0.445 -6.903 -4.072
97 H GLU 17 H GLU 17 4.240 -4.176 0.155
98 HA GLU 17 HA GLU 17 6.825 -4.717 -1.143
99 HB2 GLU 17 1HB GLU 17 6.064 -2.080 0.120
100 HB3 GLU 17 2HB GLU 17 7.559 -2.456 -0.724
101 HG2 GLU 17 1HG GLU 17 5.005 -2.777 -2.199
102 HG3 GLU 17 2HG GLU 17 5.591 -1.144 -1.885
103 H CYS 18 H CYS 18 5.151 -3.743 1.822
104 HA CYS 18 HA CYS 18 7.386 -4.882 3.369
105 HB2 CYS 18 1HB CYS 18 6.640 -3.403 5.227
106 HB3 CYS 18 2HB CYS 18 7.184 -2.513 3.808
107 H GLY 19 H GLY 19 3.882 -4.626 3.065
108 HA2 GLY 19 1HA GLY 19 2.614 -6.694 3.419
109 HA3 GLY 19 2HA GLY 19 3.657 -7.009 4.798
110 H LYS 20 H LYS 20 2.878 -3.745 4.576
111 HA LYS 20 HA LYS 20 1.410 -3.760 6.991
112 HB2 LYS 20 1HB LYS 20 2.800 -1.868 5.747
113 HB3 LYS 20 2HB LYS 20 1.211 -1.444 5.123
114 HG2 LYS 20 1HG LYS 20 2.024 -1.593 8.018
115 HG3 LYS 20 2HG LYS 20 1.693 -0.134 7.081
116 HD2 LYS 20 1HD LYS 20 -0.630 -1.223 6.684
117 HD3 LYS 20 2HD LYS 20 -0.212 -2.216 8.082
118 HE2 LYS 20 1HE LYS 20 0.357 0.071 9.190
119 HE3 LYS 20 2HE LYS 20 -0.665 0.735 7.916
120 HZ1 LYS 20 3HZ LYS 20 -1.522 -1.391 9.802
121 HZ2 LYS 20 1HZ LYS 20 -2.490 -0.587 8.671
122 HZ3 LYS 20 2HZ LYS 20 -1.867 0.254 10.000
123 H ALA 21 H ALA 21 -0.601 -4.462 7.231
124 HA ALA 21 HA ALA 21 -2.444 -4.453 4.980
125 HB1 ALA 21 3HB ALA 21 -3.404 -6.213 5.959
126 HB2 ALA 21 1HB ALA 21 -2.022 -6.211 7.055
127 HB3 ALA 21 2HB ALA 21 -3.515 -5.393 7.517
128 H PHE 22 H PHE 22 -4.440 -3.415 4.964
129 HA PHE 22 HA PHE 22 -4.940 -1.468 7.104
130 HB2 PHE 22 1HB PHE 22 -5.090 -0.838 4.148
131 HB3 PHE 22 2HB PHE 22 -5.467 0.267 5.466
132 HD1 PHE 22 HD1 PHE 22 -2.718 -1.704 3.952
133 HD2 PHE 22 HD2 PHE 22 -3.799 1.572 6.445
134 HE1 PHE 22 HE1 PHE 22 -0.370 -0.970 3.999
135 HE2 PHE 22 HE2 PHE 22 -1.454 2.312 6.496
136 HZ PHE 22 HZ PHE 22 0.265 1.041 5.271
137 H ARG 23 H ARG 23 -7.188 -0.294 6.322
138 HA ARG 23 HA ARG 23 -9.071 -2.537 6.072
139 HB2 ARG 23 1HB ARG 23 -10.698 -1.128 7.189
140 HB3 ARG 23 2HB ARG 23 -9.218 -1.186 8.138
141 HG2 ARG 23 1HG ARG 23 -8.722 1.007 7.762
142 HG3 ARG 23 2HG ARG 23 -9.550 1.041 6.204
143 HD2 ARG 23 1HD ARG 23 -11.018 2.263 7.458
144 HD3 ARG 23 2HD ARG 23 -11.676 0.646 7.707
145 HE ARG 23 HE ARG 23 -9.737 1.395 9.683
146 HH11 ARG 23 1HH1 ARG 23 -13.087 1.608 8.758
147 HH12 ARG 23 2HH1 ARG 23 -13.654 1.850 10.377
148 HH21 ARG 23 1HH2 ARG 23 -10.472 1.713 11.819
149 HH22 ARG 23 2HH2 ARG 23 -12.166 1.910 12.117
150 H SER 24 H SER 24 -8.171 0.563 4.726
151 HA SER 24 HA SER 24 -10.078 0.097 2.531
152 HB2 SER 24 1HB SER 24 -9.358 2.774 3.751
153 HB3 SER 24 2HB SER 24 -10.396 2.536 2.345
154 HG SER 24 HG SER 24 -10.954 2.234 5.013
155 H LYS 25 H LYS 25 -9.448 1.026 0.475
156 HA LYS 25 HA LYS 25 -6.718 0.547 -0.125
157 HB2 LYS 25 1HB LYS 25 -8.906 0.421 -1.612
158 HB3 LYS 25 2HB LYS 25 -8.463 2.078 -2.004
159 HG2 LYS 25 1HG LYS 25 -6.558 1.454 -3.116
160 HG3 LYS 25 2HG LYS 25 -6.396 -0.056 -2.215
161 HD2 LYS 25 1HD LYS 25 -7.098 -0.834 -4.264
162 HD3 LYS 25 2HD LYS 25 -8.640 -0.665 -3.420
163 HE2 LYS 25 1HE LYS 25 -8.918 0.278 -5.584
164 HE3 LYS 25 2HE LYS 25 -8.836 1.618 -4.441
165 HZ1 LYS 25 3HZ LYS 25 -6.715 2.189 -5.141
166 HZ2 LYS 25 1HZ LYS 25 -7.485 1.773 -6.589
167 HZ3 LYS 25 2HZ LYS 25 -6.420 0.684 -5.855
168 H SER 26 H SER 26 -8.570 3.417 0.580
169 HA SER 26 HA SER 26 -6.705 5.310 -0.416
170 HB2 SER 26 1HB SER 26 -9.013 5.955 -0.023
171 HB3 SER 26 2HB SER 26 -8.859 5.582 1.693
172 HG SER 26 HG SER 26 -7.084 7.228 1.595
173 H TYR 27 H TYR 27 -6.885 3.436 2.478
174 HA TYR 27 HA TYR 27 -5.115 5.102 4.015
175 HB2 TYR 27 1HB TYR 27 -6.926 3.274 4.751
176 HB3 TYR 27 2HB TYR 27 -5.501 2.240 4.730
177 HD1 TYR 27 HD1 TYR 27 -3.362 3.609 5.848
178 HD2 TYR 27 HD2 TYR 27 -7.475 4.036 6.848
179 HE1 TYR 27 HE1 TYR 27 -2.728 4.431 8.078
180 HE2 TYR 27 HE2 TYR 27 -6.853 4.860 9.080
181 HH TYR 27 HH TYR 27 -4.543 6.103 10.005
182 H LEU 28 H LEU 28 -4.828 2.272 1.965
183 HA LEU 28 HA LEU 28 -2.094 1.745 2.668
184 HB2 LEU 28 1HB LEU 28 -3.304 -0.128 1.956
185 HB3 LEU 28 2HB LEU 28 -3.960 0.720 0.557
186 HG LEU 28 HG LEU 28 -1.573 0.740 -0.343
187 HD11 LEU 28 1HD1 LEU 28 -1.114 -0.474 2.191
188 HD12 LEU 28 2HD1 LEU 28 0.051 -0.059 0.934
189 HD13 LEU 28 3HD1 LEU 28 -0.729 -1.640 0.924
190 HD21 LEU 28 3HD2 LEU 28 -2.314 -2.087 -0.208
191 HD22 LEU 28 1HD2 LEU 28 -2.160 -1.016 -1.601
192 HD23 LEU 28 2HD2 LEU 28 -3.643 -1.013 -0.647
193 H ILE 29 H ILE 29 -3.774 3.370 0.022
194 HA ILE 29 HA ILE 29 -1.585 3.802 -1.663
195 HB ILE 29 HB ILE 29 -4.017 5.548 -1.263
196 HG12 ILE 29 1HG1 ILE 29 -3.614 3.685 -3.568
197 HG13 ILE 29 2HG1 ILE 29 -4.147 3.026 -2.026
198 HG21 ILE 29 1HG2 ILE 29 -2.648 5.521 -3.862
199 HG22 ILE 29 2HG2 ILE 29 -3.371 6.860 -2.972
200 HG23 ILE 29 3HG2 ILE 29 -1.756 6.291 -2.550
201 HD11 ILE 29 3HD1 ILE 29 -5.551 5.277 -3.434
202 HD12 ILE 29 1HD1 ILE 29 -5.965 3.577 -3.650
203 HD13 ILE 29 2HD1 ILE 29 -6.126 4.329 -2.063
204 H ILE 30 H ILE 30 -2.880 5.801 0.969
205 HA ILE 30 HA ILE 30 -0.990 7.899 0.657
206 HB ILE 30 HB ILE 30 -1.725 8.640 2.891
207 HG12 ILE 30 1HG1 ILE 30 -3.760 7.252 3.783
208 HG13 ILE 30 2HG1 ILE 30 -3.017 5.934 2.883
209 HG21 ILE 30 1HG2 ILE 30 -3.140 8.656 0.570
210 HG22 ILE 30 2HG2 ILE 30 -4.306 7.950 1.688
211 HG23 ILE 30 3HG2 ILE 30 -3.599 9.528 2.033
212 HD11 ILE 30 3HD1 ILE 30 -1.386 7.526 4.806
213 HD12 ILE 30 1HD1 ILE 30 -2.466 6.260 5.390
214 HD13 ILE 30 2HD1 ILE 30 -1.173 5.863 4.258
215 H HIS 31 H HIS 31 -0.693 4.766 1.851
216 HA HIS 31 HA HIS 31 1.478 5.422 3.690
217 HB2 HIS 31 1HB HIS 31 0.226 3.744 4.666
218 HB3 HIS 31 2HB HIS 31 -0.145 2.978 3.124
219 HD1 HIS 31 HD1 HIS 31 1.981 2.641 6.025
220 HD2 HIS 31 HD2 HIS 31 2.207 1.565 2.018
221 HE1 HIS 31 HE1 HIS 31 3.770 0.878 5.902
222 H THR 32 H THR 32 0.932 3.464 0.771
223 HA THR 32 HA THR 32 3.463 2.498 0.335
224 HB THR 32 HB THR 32 1.561 3.516 -1.786
225 HG1 THR 32 HG1 THR 32 1.093 1.673 -0.095
226 HG21 THR 32 3HG2 THR 32 4.083 1.930 -1.884
227 HG22 THR 32 1HG2 THR 32 3.482 3.158 -2.996
228 HG23 THR 32 2HG2 THR 32 2.792 1.535 -3.017
229 H ARG 33 H ARG 33 2.409 5.760 0.200
230 HA ARG 33 HA ARG 33 4.590 6.679 -1.460
231 HB2 ARG 33 1HB ARG 33 3.708 8.929 -0.979
232 HB3 ARG 33 2HB ARG 33 2.457 7.842 -1.570
233 HG2 ARG 33 1HG ARG 33 1.524 7.598 0.597
234 HG3 ARG 33 2HG ARG 33 2.901 8.406 1.348
235 HD2 ARG 33 1HD ARG 33 1.208 9.807 -0.690
236 HD3 ARG 33 2HD ARG 33 0.714 9.733 1.001
237 HE ARG 33 HE ARG 33 2.899 11.268 -0.115
238 HH11 ARG 33 1HH1 ARG 33 1.425 9.950 2.750
239 HH12 ARG 33 2HH1 ARG 33 2.200 11.069 3.822
240 HH21 ARG 33 1HH2 ARG 33 3.925 12.747 1.285
241 HH22 ARG 33 2HH2 ARG 33 3.621 12.661 2.987
242 H THR 34 H THR 34 3.855 6.378 1.936
243 HA THR 34 HA THR 34 5.755 8.128 3.006
244 HB THR 34 HB THR 34 3.891 6.807 4.216
245 HG1 THR 34 HG1 THR 34 5.900 8.101 5.067
246 HG21 THR 34 3HG2 THR 34 5.995 4.882 5.016
247 HG22 THR 34 1HG2 THR 34 5.237 4.619 3.446
248 HG23 THR 34 2HG2 THR 34 4.248 4.670 4.904
249 H HIS 35 H HIS 35 6.083 4.929 1.661
250 HA HIS 35 HA HIS 35 8.505 4.118 2.739
251 HB2 HIS 35 1HB HIS 35 7.132 3.603 0.129
252 HB3 HIS 35 2HB HIS 35 8.775 3.016 0.367
253 HD1 HIS 35 HD1 HIS 35 9.107 1.272 2.347
254 HD2 HIS 35 HD2 HIS 35 5.167 2.100 1.319
255 HE1 HIS 35 HE1 HIS 35 7.741 -0.571 3.378
256 H THR 36 H THR 36 7.871 6.783 0.752
257 HA THR 36 HA THR 36 10.485 6.918 -0.470
258 HB THR 36 HB THR 36 9.762 9.089 -1.347
259 HG1 THR 36 HG1 THR 36 7.350 9.455 -0.816
260 HG21 THR 36 3HG2 THR 36 9.021 6.852 -2.350
261 HG22 THR 36 1HG2 THR 36 8.133 8.294 -2.842
262 HG23 THR 36 2HG2 THR 36 7.443 7.199 -1.643
263 H GLY 37 H GLY 37 10.683 6.719 2.311
264 HA2 GLY 37 1HA GLY 37 12.514 8.702 2.937
265 HA3 GLY 37 2HA GLY 37 10.970 9.251 3.571
266 H GLU 38 H GLU 38 9.820 6.972 4.494
267 HA GLU 38 HA GLU 38 11.066 6.607 6.977
268 HB2 GLU 38 1HB GLU 38 8.626 6.254 6.433
269 HB3 GLU 38 2HB GLU 38 9.082 4.717 5.713
270 HG2 GLU 38 1HG GLU 38 10.079 4.092 7.931
271 HG3 GLU 38 2HG GLU 38 9.326 5.543 8.591
272 H SER 39 H SER 39 10.716 4.265 4.308
273 HA SER 39 HA SER 39 12.648 2.489 5.504
274 HB2 SER 39 1HB SER 39 10.885 2.429 3.097
275 HB3 SER 39 2HB SER 39 12.302 1.379 3.110
276 HG SER 39 HG SER 39 11.493 0.675 5.236
277 H GLY 40 H GLY 40 12.490 4.191 2.366
278 HA2 GLY 40 1HA GLY 40 15.316 3.793 1.926
279 HA3 GLY 40 2HA GLY 40 14.206 4.660 0.876
280 HA PRO 41 HA PRO 41 16.569 7.475 4.065
281 HB2 PRO 41 1HB PRO 41 19.180 7.373 3.326
282 HB3 PRO 41 2HB PRO 41 18.495 6.332 4.580
283 HG2 PRO 41 1HG PRO 41 19.054 5.717 1.704
284 HG3 PRO 41 2HG PRO 41 19.354 4.721 3.140
285 HD2 PRO 41 1HD PRO 41 17.222 4.332 1.517
286 HD3 PRO 41 2HD PRO 41 17.164 4.015 3.262
287 H SER 42 H SER 42 15.531 9.101 2.918
288 HA SER 42 HA SER 42 17.179 10.589 1.097
289 HB2 SER 42 1HB SER 42 16.142 8.964 -0.450
290 HB3 SER 42 2HB SER 42 14.545 9.489 0.083
291 HG SER 42 HG SER 42 15.930 10.505 -1.861
292 H SER 43 H SER 43 16.529 12.733 0.882
293 HA SER 43 HA SER 43 14.404 13.542 2.744
294 HB2 SER 43 1HB SER 43 16.458 14.520 3.414
295 HB3 SER 43 2HB SER 43 16.882 14.952 1.758
296 HG SER 43 HG SER 43 16.072 16.707 3.105
297 H GLY 44 H GLY 44 15.865 14.712 -0.300
298 HA2 GLY 44 1HA GLY 44 13.162 15.581 -1.120
299 HA3 GLY 44 2HA GLY 44 14.642 16.403 -1.593
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -8.182 -24.941 -14.764
2 HA2 GLY 1 1HA GLY 1 -6.943 -25.770 -16.760
3 HA3 GLY 1 2HA GLY 1 -6.254 -24.156 -16.864
4 H SER 2 H SER 2 -4.379 -23.772 -15.860
5 HA SER 2 HA SER 2 -3.219 -25.941 -14.289
6 HB2 SER 2 1HB SER 2 -2.110 -23.577 -15.760
7 HB3 SER 2 2HB SER 2 -1.152 -24.331 -14.486
8 HG SER 2 HG SER 2 -1.373 -25.119 -16.970
9 H SER 3 H SER 3 -2.204 -25.583 -12.264
10 HA SER 3 HA SER 3 -3.583 -23.589 -10.659
11 HB2 SER 3 1HB SER 3 -3.298 -26.033 -9.976
12 HB3 SER 3 2HB SER 3 -1.605 -25.645 -9.669
13 HG SER 3 HG SER 3 -3.524 -23.970 -8.543
14 H GLY 4 H GLY 4 -0.232 -24.569 -11.350
15 HA2 GLY 4 1HA GLY 4 1.588 -23.121 -11.645
16 HA3 GLY 4 2HA GLY 4 0.616 -21.804 -11.006
17 H SER 5 H SER 5 1.057 -21.127 -9.014
18 HA SER 5 HA SER 5 2.457 -22.968 -7.191
19 HB2 SER 5 1HB SER 5 3.951 -21.252 -6.490
20 HB3 SER 5 2HB SER 5 3.954 -21.204 -8.253
21 HG SER 5 HG SER 5 3.655 -19.133 -7.731
22 H SER 6 H SER 6 2.060 -22.683 -4.970
23 HA SER 6 HA SER 6 -0.492 -21.360 -4.412
24 HB2 SER 6 1HB SER 6 -0.263 -23.758 -3.824
25 HB3 SER 6 2HB SER 6 1.052 -23.346 -2.725
26 HG SER 6 HG SER 6 -0.342 -22.536 -1.334
27 H GLY 7 H GLY 7 1.666 -19.640 -4.715
28 HA2 GLY 7 1HA GLY 7 2.298 -18.854 -1.941
29 HA3 GLY 7 2HA GLY 7 3.277 -18.442 -3.341
30 H THR 8 H THR 8 1.875 -17.233 -5.091
31 HA THR 8 HA THR 8 1.423 -14.689 -4.337
32 HB THR 8 HB THR 8 -0.210 -14.477 -6.231
33 HG1 THR 8 HG1 THR 8 -0.067 -17.260 -6.015
34 HG21 THR 8 3HG2 THR 8 1.851 -16.059 -7.523
35 HG22 THR 8 1HG2 THR 8 2.517 -14.995 -6.285
36 HG23 THR 8 2HG2 THR 8 1.551 -14.323 -7.599
37 H GLY 9 H GLY 9 0.354 -14.101 -2.535
38 HA2 GLY 9 1HA GLY 9 -2.306 -15.242 -2.033
39 HA3 GLY 9 2HA GLY 9 -1.319 -14.385 -0.858
40 H MET 10 H MET 10 -3.193 -13.936 -3.832
41 HA MET 10 HA MET 10 -3.260 -11.297 -4.231
42 HB2 MET 10 1HB MET 10 -4.685 -12.888 -5.445
43 HB3 MET 10 2HB MET 10 -5.733 -13.026 -4.039
44 HG2 MET 10 1HG MET 10 -5.969 -10.451 -4.302
45 HG3 MET 10 2HG MET 10 -5.410 -10.758 -5.944
46 HE1 MET 10 3HE MET 10 -7.914 -11.432 -3.221
47 HE2 MET 10 1HE MET 10 -8.697 -10.136 -4.127
48 HE3 MET 10 2HE MET 10 -9.429 -11.740 -4.072
49 H LYS 11 H LYS 11 -3.064 -9.785 -2.688
50 HA LYS 11 HA LYS 11 -4.827 -9.901 -0.348
51 HB2 LYS 11 1HB LYS 11 -3.331 -8.200 0.618
52 HB3 LYS 11 2HB LYS 11 -2.455 -9.648 0.139
53 HG2 LYS 11 1HG LYS 11 -2.147 -8.232 -2.095
54 HG3 LYS 11 2HG LYS 11 -2.328 -6.902 -0.949
55 HD2 LYS 11 1HD LYS 11 -0.042 -7.257 -0.925
56 HD3 LYS 11 2HD LYS 11 -0.580 -8.221 0.454
57 HE2 LYS 11 1HE LYS 11 -0.321 -10.231 -0.700
58 HE3 LYS 11 2HE LYS 11 -0.325 -9.437 -2.274
59 HZ1 LYS 11 3HZ LYS 11 1.816 -8.472 -0.701
60 HZ2 LYS 11 1HZ LYS 11 1.866 -9.259 -2.198
61 HZ3 LYS 11 2HZ LYS 11 1.877 -10.161 -0.767
62 HA PRO 12 HA PRO 12 -7.386 -6.607 -1.718
63 HB2 PRO 12 1HB PRO 12 -7.986 -5.398 0.638
64 HB3 PRO 12 2HB PRO 12 -8.651 -6.967 0.167
65 HG2 PRO 12 1HG PRO 12 -6.354 -6.352 1.985
66 HG3 PRO 12 2HG PRO 12 -7.655 -7.539 2.189
67 HD2 PRO 12 1HD PRO 12 -5.179 -8.224 1.334
68 HD3 PRO 12 2HD PRO 12 -6.642 -9.074 0.799
69 H TYR 13 H TYR 13 -6.275 -4.805 1.029
70 HA TYR 13 HA TYR 13 -4.984 -2.887 -0.792
71 HB2 TYR 13 1HB TYR 13 -5.750 -2.060 1.956
72 HB3 TYR 13 2HB TYR 13 -5.823 -1.158 0.446
73 HD1 TYR 13 HD2 TYR 13 -7.499 -3.897 2.324
74 HD2 TYR 13 HD1 TYR 13 -7.857 -0.906 -0.681
75 HE1 TYR 13 HE2 TYR 13 -9.918 -4.325 2.194
76 HE2 TYR 13 HE1 TYR 13 -10.276 -1.324 -0.818
77 HH TYR 13 HH TYR 13 -11.990 -2.493 -0.038
78 H VAL 14 H VAL 14 -3.839 -5.304 0.616
79 HA VAL 14 HA VAL 14 -2.051 -4.288 2.612
80 HB VAL 14 HB VAL 14 -1.919 -6.890 1.081
81 HG11 VAL 14 1HG1 VAL 14 -0.248 -7.588 2.467
82 HG12 VAL 14 2HG1 VAL 14 0.122 -5.863 2.423
83 HG13 VAL 14 3HG1 VAL 14 -0.759 -6.543 3.792
84 HG21 VAL 14 3HG2 VAL 14 -3.955 -6.189 2.662
85 HG22 VAL 14 1HG2 VAL 14 -3.337 -7.838 2.577
86 HG23 VAL 14 2HG2 VAL 14 -2.838 -6.776 3.894
87 H CYS 15 H CYS 15 -0.105 -3.395 2.360
88 HA CYS 15 HA CYS 15 0.853 -2.475 -0.069
89 HB2 CYS 15 1HB CYS 15 1.518 -1.940 2.442
90 HB3 CYS 15 2HB CYS 15 2.813 -3.082 2.100
91 H ASN 16 H ASN 16 1.802 -3.428 -1.738
92 HA ASN 16 HA ASN 16 2.674 -6.189 -1.507
93 HB2 ASN 16 1HB ASN 16 2.719 -4.480 -3.994
94 HB3 ASN 16 2HB ASN 16 2.685 -6.238 -3.888
95 HD21 ASN 16 1HD2 ASN 16 0.733 -7.142 -2.772
96 HD22 ASN 16 2HD2 ASN 16 -0.787 -6.400 -3.127
97 H GLU 17 H GLU 17 4.224 -4.026 -0.247
98 HA GLU 17 HA GLU 17 6.789 -4.570 -1.576
99 HB2 GLU 17 1HB GLU 17 6.076 -1.925 -0.305
100 HB3 GLU 17 2HB GLU 17 7.552 -2.320 -1.173
101 HG2 GLU 17 1HG GLU 17 4.974 -2.607 -2.611
102 HG3 GLU 17 2HG GLU 17 5.580 -0.981 -2.300
103 H CYS 18 H CYS 18 5.136 -3.594 1.397
104 HA CYS 18 HA CYS 18 7.380 -4.728 2.934
105 HB2 CYS 18 1HB CYS 18 6.639 -3.269 4.798
106 HB3 CYS 18 2HB CYS 18 7.133 -2.356 3.376
107 H GLY 19 H GLY 19 3.888 -4.570 2.565
108 HA2 GLY 19 1HA GLY 19 2.606 -6.593 2.929
109 HA3 GLY 19 2HA GLY 19 3.693 -6.980 4.255
110 H LYS 20 H LYS 20 2.637 -3.715 3.938
111 HA LYS 20 HA LYS 20 1.371 -3.799 6.505
112 HB2 LYS 20 1HB LYS 20 2.659 -1.852 5.235
113 HB3 LYS 20 2HB LYS 20 1.035 -1.461 4.686
114 HG2 LYS 20 1HG LYS 20 2.022 -1.586 7.524
115 HG3 LYS 20 2HG LYS 20 1.500 -0.159 6.625
116 HD2 LYS 20 1HD LYS 20 -0.759 -1.321 6.416
117 HD3 LYS 20 2HD LYS 20 -0.171 -2.442 7.646
118 HE2 LYS 20 1HE LYS 20 0.073 -0.689 9.237
119 HE3 LYS 20 2HE LYS 20 -0.197 0.547 8.010
120 HZ1 LYS 20 3HZ LYS 20 -2.446 0.090 7.926
121 HZ2 LYS 20 1HZ LYS 20 -2.114 -0.091 9.575
122 HZ3 LYS 20 2HZ LYS 20 -2.280 -1.457 8.590
123 H ALA 21 H ALA 21 -0.591 -4.627 6.779
124 HA ALA 21 HA ALA 21 -2.536 -4.571 4.616
125 HB1 ALA 21 3HB ALA 21 -3.206 -5.698 7.282
126 HB2 ALA 21 1HB ALA 21 -3.610 -6.285 5.668
127 HB3 ALA 21 2HB ALA 21 -1.985 -6.524 6.313
128 H PHE 22 H PHE 22 -4.242 -3.245 4.505
129 HA PHE 22 HA PHE 22 -4.870 -1.596 6.864
130 HB2 PHE 22 1HB PHE 22 -5.076 -0.679 3.992
131 HB3 PHE 22 2HB PHE 22 -5.284 0.299 5.442
132 HD1 PHE 22 HD1 PHE 22 -2.810 -1.587 3.446
133 HD2 PHE 22 HD2 PHE 22 -3.445 1.309 6.501
134 HE1 PHE 22 HE1 PHE 22 -0.420 -1.008 3.390
135 HE2 PHE 22 HE2 PHE 22 -1.056 1.893 6.449
136 HZ PHE 22 HZ PHE 22 0.461 0.735 4.891
137 H ARG 23 H ARG 23 -7.107 -0.394 6.291
138 HA ARG 23 HA ARG 23 -9.014 -2.566 6.017
139 HB2 ARG 23 1HB ARG 23 -9.010 -0.608 7.768
140 HB3 ARG 23 2HB ARG 23 -9.811 0.281 6.479
141 HG2 ARG 23 1HG ARG 23 -11.607 -0.549 7.626
142 HG3 ARG 23 2HG ARG 23 -11.378 -1.807 6.410
143 HD2 ARG 23 1HD ARG 23 -10.305 -3.238 7.960
144 HD3 ARG 23 2HD ARG 23 -10.130 -1.942 9.142
145 HE ARG 23 HE ARG 23 -12.312 -2.277 9.805
146 HH11 ARG 23 1HH1 ARG 23 -11.656 -4.084 6.902
147 HH12 ARG 23 2HH1 ARG 23 -13.127 -4.996 6.982
148 HH21 ARG 23 1HH2 ARG 23 -14.251 -3.471 9.921
149 HH22 ARG 23 2HH2 ARG 23 -14.603 -4.646 8.699
150 H SER 24 H SER 24 -8.201 0.477 4.412
151 HA SER 24 HA SER 24 -9.794 -0.410 2.102
152 HB2 SER 24 1HB SER 24 -10.512 1.871 1.686
153 HB3 SER 24 2HB SER 24 -10.958 1.419 3.331
154 HG SER 24 HG SER 24 -9.782 3.549 2.808
155 H LYS 25 H LYS 25 -9.181 1.298 0.207
156 HA LYS 25 HA LYS 25 -6.408 0.752 -0.328
157 HB2 LYS 25 1HB LYS 25 -6.862 1.773 -2.521
158 HB3 LYS 25 2HB LYS 25 -8.053 0.545 -2.113
159 HG2 LYS 25 1HG LYS 25 -9.667 2.231 -1.533
160 HG3 LYS 25 2HG LYS 25 -8.470 3.507 -1.766
161 HD2 LYS 25 1HD LYS 25 -8.298 2.407 -4.167
162 HD3 LYS 25 2HD LYS 25 -9.937 1.877 -3.778
163 HE2 LYS 25 1HE LYS 25 -9.076 4.738 -3.471
164 HE3 LYS 25 2HE LYS 25 -9.665 4.105 -5.007
165 HZ1 LYS 25 3HZ LYS 25 -11.428 5.148 -3.705
166 HZ2 LYS 25 1HZ LYS 25 -11.168 4.047 -2.447
167 HZ3 LYS 25 2HZ LYS 25 -11.733 3.502 -3.944
168 H SER 26 H SER 26 -8.378 3.622 0.288
169 HA SER 26 HA SER 26 -6.525 5.606 -0.247
170 HB2 SER 26 1HB SER 26 -7.953 7.052 0.846
171 HB3 SER 26 2HB SER 26 -9.042 5.692 0.576
172 HG SER 26 HG SER 26 -8.165 5.006 2.764
173 H TYR 27 H TYR 27 -6.686 3.392 2.422
174 HA TYR 27 HA TYR 27 -4.886 4.851 4.116
175 HB2 TYR 27 1HB TYR 27 -6.249 2.209 4.201
176 HB3 TYR 27 2HB TYR 27 -4.787 2.391 5.165
177 HD1 TYR 27 HD1 TYR 27 -4.818 4.896 6.381
178 HD2 TYR 27 HD2 TYR 27 -8.175 2.461 5.429
179 HE1 TYR 27 HE1 TYR 27 -6.118 6.007 8.149
180 HE2 TYR 27 HE2 TYR 27 -9.485 3.566 7.193
181 HH TYR 27 HH TYR 27 -9.043 4.808 9.308
182 H LEU 28 H LEU 28 -4.621 2.218 1.795
183 HA LEU 28 HA LEU 28 -1.876 1.653 2.373
184 HB2 LEU 28 1HB LEU 28 -3.097 -0.126 1.461
185 HB3 LEU 28 2HB LEU 28 -3.760 0.877 0.173
186 HG LEU 28 HG LEU 28 -1.432 0.988 -0.787
187 HD11 LEU 28 1HD1 LEU 28 0.303 -0.188 0.065
188 HD12 LEU 28 2HD1 LEU 28 -0.730 -1.466 0.705
189 HD13 LEU 28 3HD1 LEU 28 -0.581 0.063 1.570
190 HD21 LEU 28 3HD2 LEU 28 -1.804 -1.814 -1.014
191 HD22 LEU 28 1HD2 LEU 28 -2.264 -0.547 -2.152
192 HD23 LEU 28 2HD2 LEU 28 -3.396 -1.063 -0.902
193 H ILE 29 H ILE 29 -3.593 3.611 -0.000
194 HA ILE 29 HA ILE 29 -1.379 4.243 -1.627
195 HB ILE 29 HB ILE 29 -3.883 5.858 -1.133
196 HG12 ILE 29 1HG1 ILE 29 -3.385 4.209 -3.577
197 HG13 ILE 29 2HG1 ILE 29 -3.914 3.403 -2.105
198 HG21 ILE 29 1HG2 ILE 29 -1.550 6.628 -2.433
199 HG22 ILE 29 2HG2 ILE 29 -2.652 6.162 -3.728
200 HG23 ILE 29 3HG2 ILE 29 -3.134 7.392 -2.559
201 HD11 ILE 29 3HD1 ILE 29 -5.706 4.073 -3.754
202 HD12 ILE 29 1HD1 ILE 29 -5.950 4.566 -2.079
203 HD13 ILE 29 2HD1 ILE 29 -5.388 5.738 -3.271
204 H ILE 30 H ILE 30 -2.903 6.055 1.035
205 HA ILE 30 HA ILE 30 -1.054 8.188 1.012
206 HB ILE 30 HB ILE 30 -1.925 8.759 3.228
207 HG12 ILE 30 1HG1 ILE 30 -3.936 7.150 3.906
208 HG13 ILE 30 2HG1 ILE 30 -2.938 5.958 3.081
209 HG21 ILE 30 1HG2 ILE 30 -3.431 9.702 1.864
210 HG22 ILE 30 2HG2 ILE 30 -3.602 8.243 0.889
211 HG23 ILE 30 3HG2 ILE 30 -4.501 8.405 2.397
212 HD11 ILE 30 3HD1 ILE 30 -1.535 7.656 5.025
213 HD12 ILE 30 1HD1 ILE 30 -2.736 6.550 5.693
214 HD13 ILE 30 2HD1 ILE 30 -1.405 5.924 4.718
215 H HIS 31 H HIS 31 -0.701 4.982 1.975
216 HA HIS 31 HA HIS 31 1.364 5.562 3.957
217 HB2 HIS 31 1HB HIS 31 0.177 3.772 4.771
218 HB3 HIS 31 2HB HIS 31 -0.190 3.147 3.166
219 HD1 HIS 31 HD1 HIS 31 1.956 2.580 6.021
220 HD2 HIS 31 HD2 HIS 31 2.157 1.842 1.938
221 HE1 HIS 31 HE1 HIS 31 3.755 0.845 5.739
222 H THR 32 H THR 32 1.033 3.686 0.944
223 HA THR 32 HA THR 32 3.547 2.820 0.499
224 HB THR 32 HB THR 32 1.822 4.155 -1.597
225 HG1 THR 32 HG1 THR 32 0.721 2.454 -0.596
226 HG21 THR 32 3HG2 THR 32 3.421 1.927 -2.492
227 HG22 THR 32 1HG2 THR 32 4.440 3.190 -1.804
228 HG23 THR 32 2HG2 THR 32 3.337 3.570 -3.127
229 H ARG 33 H ARG 33 2.467 6.142 0.340
230 HA ARG 33 HA ARG 33 4.774 7.189 -0.949
231 HB2 ARG 33 1HB ARG 33 3.946 9.382 -0.131
232 HB3 ARG 33 2HB ARG 33 2.714 8.447 -0.968
233 HG2 ARG 33 1HG ARG 33 1.940 7.683 1.321
234 HG3 ARG 33 2HG ARG 33 2.988 8.942 1.979
235 HD2 ARG 33 1HD ARG 33 1.734 10.488 0.308
236 HD3 ARG 33 2HD ARG 33 0.522 9.208 0.306
237 HE ARG 33 HE ARG 33 1.326 10.149 2.922
238 HH11 ARG 33 1HH1 ARG 33 -0.916 10.450 0.275
239 HH12 ARG 33 2HH1 ARG 33 -2.154 11.188 1.237
240 HH21 ARG 33 1HH2 ARG 33 -0.296 11.120 4.198
241 HH22 ARG 33 2HH2 ARG 33 -1.800 11.570 3.468
242 H THR 34 H THR 34 3.824 6.800 2.434
243 HA THR 34 HA THR 34 5.786 8.220 3.725
244 HB THR 34 HB THR 34 5.539 6.713 5.616
245 HG1 THR 34 HG1 THR 34 4.773 4.951 3.618
246 HG21 THR 34 3HG2 THR 34 3.722 8.211 5.410
247 HG22 THR 34 1HG2 THR 34 2.998 6.632 5.711
248 HG23 THR 34 2HG2 THR 34 3.018 7.296 4.077
249 H HIS 35 H HIS 35 6.071 5.164 2.056
250 HA HIS 35 HA HIS 35 8.376 4.087 3.045
251 HB2 HIS 35 1HB HIS 35 7.234 4.213 0.281
252 HB3 HIS 35 2HB HIS 35 8.828 3.503 0.520
253 HD1 HIS 35 HD1 HIS 35 8.852 1.096 1.112
254 HD2 HIS 35 HD2 HIS 35 5.185 2.865 1.941
255 HE1 HIS 35 HE1 HIS 35 7.353 -0.781 1.855
256 H THR 36 H THR 36 8.043 6.925 1.021
257 HA THR 36 HA THR 36 10.604 7.299 0.094
258 HB THR 36 HB THR 36 10.156 9.745 0.189
259 HG1 THR 36 HG1 THR 36 7.692 9.919 0.896
260 HG21 THR 36 3HG2 THR 36 8.656 9.684 -1.542
261 HG22 THR 36 1HG2 THR 36 7.603 8.524 -0.736
262 HG23 THR 36 2HG2 THR 36 9.105 7.980 -1.484
263 H GLY 37 H GLY 37 9.317 8.672 3.134
264 HA2 GLY 37 1HA GLY 37 11.009 8.045 5.026
265 HA3 GLY 37 2HA GLY 37 12.075 9.053 4.058
266 H GLU 38 H GLU 38 8.925 9.095 5.702
267 HA GLU 38 HA GLU 38 9.213 11.997 6.053
268 HB2 GLU 38 1HB GLU 38 7.118 11.419 5.054
269 HB3 GLU 38 2HB GLU 38 6.821 10.169 6.254
270 HG2 GLU 38 1HG GLU 38 6.974 12.214 7.912
271 HG3 GLU 38 2HG GLU 38 6.523 13.113 6.464
272 H SER 39 H SER 39 10.574 12.144 7.797
273 HA SER 39 HA SER 39 9.700 10.834 10.284
274 HB2 SER 39 1HB SER 39 12.383 11.603 9.217
275 HB3 SER 39 2HB SER 39 12.142 11.613 10.964
276 HG SER 39 HG SER 39 12.741 9.552 9.564
277 H GLY 40 H GLY 40 8.148 12.396 10.838
278 HA2 GLY 40 1HA GLY 40 9.147 14.583 12.356
279 HA3 GLY 40 2HA GLY 40 8.450 15.150 10.846
280 HA PRO 41 HA PRO 41 4.894 13.077 13.424
281 HB2 PRO 41 1HB PRO 41 5.429 12.722 16.062
282 HB3 PRO 41 2HB PRO 41 5.739 11.479 14.843
283 HG2 PRO 41 1HG PRO 41 7.644 13.416 16.101
284 HG3 PRO 41 2HG PRO 41 7.866 11.691 15.757
285 HD2 PRO 41 1HD PRO 41 8.885 13.636 14.172
286 HD3 PRO 41 2HD PRO 41 8.350 12.068 13.535
287 H SER 42 H SER 42 7.040 15.249 15.247
288 HA SER 42 HA SER 42 6.701 17.310 16.154
289 HB2 SER 42 1HB SER 42 5.552 17.662 13.884
290 HB3 SER 42 2HB SER 42 4.034 17.430 14.751
291 HG SER 42 HG SER 42 5.768 19.569 14.763
292 H SER 43 H SER 43 6.021 15.088 17.664
293 HA SER 43 HA SER 43 3.512 15.799 19.002
294 HB2 SER 43 1HB SER 43 5.270 13.367 19.408
295 HB3 SER 43 2HB SER 43 3.670 13.626 20.101
296 HG SER 43 HG SER 43 3.648 12.311 18.200
297 H GLY 44 H GLY 44 6.917 15.089 19.768
298 HA2 GLY 44 1HA GLY 44 8.286 15.989 21.388
299 HA3 GLY 44 2HA GLY 44 7.032 17.177 21.712
Start of MODEL 19
1 H1 GLY 1 H GLY 1 15.408 -8.360 -17.673
2 HA2 GLY 1 1HA GLY 1 13.178 -8.622 -17.083
3 HA3 GLY 1 2HA GLY 1 13.219 -9.691 -18.477
4 H SER 2 H SER 2 13.274 -9.502 -14.993
5 HA SER 2 HA SER 2 12.908 -12.423 -14.863
6 HB2 SER 2 1HB SER 2 14.908 -11.363 -13.659
7 HB3 SER 2 2HB SER 2 13.727 -10.678 -12.543
8 HG SER 2 HG SER 2 13.027 -13.112 -12.598
9 H SER 3 H SER 3 10.703 -12.518 -15.115
10 HA SER 3 HA SER 3 8.684 -10.973 -14.312
11 HB2 SER 3 1HB SER 3 8.416 -13.204 -15.382
12 HB3 SER 3 2HB SER 3 8.712 -13.960 -13.816
13 HG SER 3 HG SER 3 6.526 -13.803 -14.016
14 H GLY 4 H GLY 4 10.305 -13.289 -12.146
15 HA2 GLY 4 1HA GLY 4 10.574 -13.257 -9.862
16 HA3 GLY 4 2HA GLY 4 10.070 -11.574 -9.893
17 H SER 5 H SER 5 8.969 -12.052 -7.887
18 HA SER 5 HA SER 5 6.421 -13.472 -8.307
19 HB2 SER 5 1HB SER 5 7.839 -13.055 -5.667
20 HB3 SER 5 2HB SER 5 6.402 -14.035 -5.956
21 HG SER 5 HG SER 5 7.967 -15.506 -6.044
22 H SER 6 H SER 6 5.538 -11.484 -9.140
23 HA SER 6 HA SER 6 4.927 -9.530 -7.019
24 HB2 SER 6 1HB SER 6 4.741 -7.817 -8.767
25 HB3 SER 6 2HB SER 6 6.341 -8.558 -8.788
26 HG SER 6 HG SER 6 5.908 -8.869 -10.822
27 H GLY 7 H GLY 7 3.000 -10.382 -6.329
28 HA2 GLY 7 1HA GLY 7 0.639 -10.131 -6.491
29 HA3 GLY 7 2HA GLY 7 0.785 -10.158 -8.242
30 H THR 8 H THR 8 2.166 -12.424 -5.901
31 HA THR 8 HA THR 8 1.093 -14.649 -7.392
32 HB THR 8 HB THR 8 2.273 -16.057 -5.738
33 HG1 THR 8 HG1 THR 8 2.869 -15.219 -3.893
34 HG21 THR 8 3HG2 THR 8 4.254 -13.953 -6.446
35 HG22 THR 8 1HG2 THR 8 3.369 -14.734 -7.755
36 HG23 THR 8 2HG2 THR 8 4.345 -15.702 -6.649
37 H GLY 9 H GLY 9 0.626 -13.229 -4.175
38 HA2 GLY 9 1HA GLY 9 -1.563 -15.111 -3.664
39 HA3 GLY 9 2HA GLY 9 -0.820 -14.045 -2.481
40 H MET 10 H MET 10 -3.505 -14.164 -2.514
41 HA MET 10 HA MET 10 -4.518 -11.976 -4.147
42 HB2 MET 10 1HB MET 10 -5.920 -13.797 -2.182
43 HB3 MET 10 2HB MET 10 -6.714 -12.584 -3.178
44 HG2 MET 10 1HG MET 10 -6.338 -13.770 -5.142
45 HG3 MET 10 2HG MET 10 -5.070 -14.754 -4.415
46 HE1 MET 10 3HE MET 10 -6.944 -17.902 -4.212
47 HE2 MET 10 1HE MET 10 -6.436 -16.965 -5.618
48 HE3 MET 10 2HE MET 10 -5.403 -17.043 -4.190
49 H LYS 11 H LYS 11 -3.522 -10.170 -3.258
50 HA LYS 11 HA LYS 11 -4.229 -9.547 -0.468
51 HB2 LYS 11 1HB LYS 11 -1.863 -8.902 -2.159
52 HB3 LYS 11 2HB LYS 11 -2.365 -7.711 -0.967
53 HG2 LYS 11 1HG LYS 11 -0.903 -8.901 0.293
54 HG3 LYS 11 2HG LYS 11 -2.369 -9.830 0.616
55 HD2 LYS 11 1HD LYS 11 -1.755 -11.470 -1.034
56 HD3 LYS 11 2HD LYS 11 -0.371 -10.499 -1.544
57 HE2 LYS 11 1HE LYS 11 0.859 -11.032 0.317
58 HE3 LYS 11 2HE LYS 11 -0.568 -11.309 1.314
59 HZ1 LYS 11 3HZ LYS 11 -0.821 -13.261 -0.477
60 HZ2 LYS 11 1HZ LYS 11 -0.011 -13.448 0.996
61 HZ3 LYS 11 2HZ LYS 11 0.865 -13.142 -0.418
62 HA PRO 12 HA PRO 12 -7.019 -6.576 -2.264
63 HB2 PRO 12 1HB PRO 12 -7.886 -5.548 0.094
64 HB3 PRO 12 2HB PRO 12 -8.442 -7.102 -0.539
65 HG2 PRO 12 1HG PRO 12 -6.353 -6.538 1.530
66 HG3 PRO 12 2HG PRO 12 -7.622 -7.777 1.530
67 HD2 PRO 12 1HD PRO 12 -5.051 -8.324 0.877
68 HD3 PRO 12 2HD PRO 12 -6.424 -9.182 0.150
69 H TYR 13 H TYR 13 -6.241 -4.930 0.687
70 HA TYR 13 HA TYR 13 -4.927 -2.817 -0.877
71 HB2 TYR 13 1HB TYR 13 -5.835 -2.341 1.920
72 HB3 TYR 13 2HB TYR 13 -5.837 -1.252 0.537
73 HD1 TYR 13 HD2 TYR 13 -7.572 -4.209 1.973
74 HD2 TYR 13 HD1 TYR 13 -7.795 -0.910 -0.705
75 HE1 TYR 13 HE2 TYR 13 -9.969 -4.649 1.639
76 HE2 TYR 13 HE1 TYR 13 -10.193 -1.340 -1.045
77 HH TYR 13 HH TYR 13 -12.031 -2.431 -0.020
78 H VAL 14 H VAL 14 -3.775 -5.343 0.405
79 HA VAL 14 HA VAL 14 -2.053 -4.422 2.500
80 HB VAL 14 HB VAL 14 -1.940 -6.930 0.821
81 HG11 VAL 14 1HG1 VAL 14 -0.502 -6.460 3.418
82 HG12 VAL 14 2HG1 VAL 14 -0.287 -7.779 2.266
83 HG13 VAL 14 3HG1 VAL 14 0.248 -6.150 1.853
84 HG21 VAL 14 3HG2 VAL 14 -3.667 -7.546 2.089
85 HG22 VAL 14 1HG2 VAL 14 -2.551 -7.564 3.454
86 HG23 VAL 14 2HG2 VAL 14 -3.509 -6.122 3.117
87 H CYS 15 H CYS 15 0.099 -3.885 2.420
88 HA CYS 15 HA CYS 15 1.047 -2.794 -0.058
89 HB2 CYS 15 1HB CYS 15 1.432 -2.005 2.437
90 HB3 CYS 15 2HB CYS 15 2.823 -3.079 2.328
91 H ASN 16 H ASN 16 1.799 -4.105 -1.591
92 HA ASN 16 HA ASN 16 2.877 -6.675 -1.119
93 HB2 ASN 16 1HB ASN 16 2.716 -4.860 -3.499
94 HB3 ASN 16 2HB ASN 16 3.717 -6.307 -3.578
95 HD21 ASN 16 1HD2 ASN 16 2.753 -8.034 -4.339
96 HD22 ASN 16 2HD2 ASN 16 1.058 -8.365 -4.287
97 H GLU 17 H GLU 17 4.198 -3.696 -0.538
98 HA GLU 17 HA GLU 17 6.933 -4.409 -1.229
99 HB2 GLU 17 1HB GLU 17 5.860 -1.942 0.150
100 HB3 GLU 17 2HB GLU 17 7.505 -2.167 -0.426
101 HG2 GLU 17 1HG GLU 17 5.102 -2.247 -2.227
102 HG3 GLU 17 2HG GLU 17 6.018 -0.779 -1.889
103 H CYS 18 H CYS 18 5.231 -3.358 1.728
104 HA CYS 18 HA CYS 18 7.267 -4.772 3.309
105 HB2 CYS 18 1HB CYS 18 6.346 -3.399 5.218
106 HB3 CYS 18 2HB CYS 18 7.136 -2.475 3.944
107 H GLY 19 H GLY 19 3.875 -4.639 2.557
108 HA2 GLY 19 1HA GLY 19 2.553 -6.642 2.791
109 HA3 GLY 19 2HA GLY 19 3.476 -7.026 4.237
110 H LYS 20 H LYS 20 2.888 -3.795 4.356
111 HA LYS 20 HA LYS 20 1.236 -3.859 6.569
112 HB2 LYS 20 1HB LYS 20 2.579 -1.905 5.372
113 HB3 LYS 20 2HB LYS 20 0.994 -1.549 4.697
114 HG2 LYS 20 1HG LYS 20 1.176 -0.211 6.611
115 HG3 LYS 20 2HG LYS 20 0.133 -1.556 7.080
116 HD2 LYS 20 1HD LYS 20 1.820 -1.016 8.799
117 HD3 LYS 20 2HD LYS 20 1.989 -2.658 8.176
118 HE2 LYS 20 1HE LYS 20 3.873 -2.075 6.879
119 HE3 LYS 20 2HE LYS 20 3.575 -0.349 7.082
120 HZ1 LYS 20 3HZ LYS 20 4.206 -2.116 9.371
121 HZ2 LYS 20 1HZ LYS 20 4.276 -0.427 9.301
122 HZ3 LYS 20 2HZ LYS 20 5.414 -1.356 8.464
123 H ALA 21 H ALA 21 -0.735 -4.691 6.730
124 HA ALA 21 HA ALA 21 -2.534 -4.641 4.431
125 HB1 ALA 21 3HB ALA 21 -3.020 -6.675 5.179
126 HB2 ALA 21 1HB ALA 21 -2.125 -6.399 6.673
127 HB3 ALA 21 2HB ALA 21 -3.818 -5.918 6.557
128 H PHE 22 H PHE 22 -4.081 -3.171 4.226
129 HA PHE 22 HA PHE 22 -4.925 -1.681 6.624
130 HB2 PHE 22 1HB PHE 22 -5.076 -0.720 3.763
131 HB3 PHE 22 2HB PHE 22 -5.347 0.227 5.223
132 HD1 PHE 22 HD1 PHE 22 -2.749 -1.655 3.362
133 HD2 PHE 22 HD2 PHE 22 -3.588 1.358 6.249
134 HE1 PHE 22 HE1 PHE 22 -0.373 -1.016 3.380
135 HE2 PHE 22 HE2 PHE 22 -1.213 2.002 6.271
136 HZ PHE 22 HZ PHE 22 0.397 0.816 4.835
137 H ARG 23 H ARG 23 -7.178 -0.553 6.062
138 HA ARG 23 HA ARG 23 -8.995 -2.777 5.534
139 HB2 ARG 23 1HB ARG 23 -10.699 -1.425 6.594
140 HB3 ARG 23 2HB ARG 23 -9.262 -1.447 7.607
141 HG2 ARG 23 1HG ARG 23 -9.748 0.765 7.708
142 HG3 ARG 23 2HG ARG 23 -8.728 0.770 6.268
143 HD2 ARG 23 1HD ARG 23 -10.628 0.809 4.830
144 HD3 ARG 23 2HD ARG 23 -11.725 0.506 6.176
145 HE ARG 23 HE ARG 23 -10.170 2.938 6.370
146 HH11 ARG 23 1HH1 ARG 23 -13.147 1.454 5.345
147 HH12 ARG 23 2HH1 ARG 23 -14.044 2.936 5.359
148 HH21 ARG 23 1HH2 ARG 23 -11.339 4.896 6.393
149 HH22 ARG 23 2HH2 ARG 23 -13.013 4.894 5.955
150 H SER 24 H SER 24 -7.973 0.253 4.188
151 HA SER 24 HA SER 24 -9.677 -0.239 1.860
152 HB2 SER 24 1HB SER 24 -9.754 2.162 3.622
153 HB3 SER 24 2HB SER 24 -9.891 2.423 1.884
154 HG SER 24 HG SER 24 -11.562 0.664 2.061
155 H LYS 25 H LYS 25 -9.036 1.265 0.018
156 HA LYS 25 HA LYS 25 -6.245 0.975 -0.441
157 HB2 LYS 25 1HB LYS 25 -8.572 2.030 -1.961
158 HB3 LYS 25 2HB LYS 25 -6.975 2.563 -2.469
159 HG2 LYS 25 1HG LYS 25 -6.415 0.018 -2.410
160 HG3 LYS 25 2HG LYS 25 -8.167 -0.168 -2.522
161 HD2 LYS 25 1HD LYS 25 -6.533 1.508 -4.422
162 HD3 LYS 25 2HD LYS 25 -6.963 -0.177 -4.721
163 HE2 LYS 25 1HE LYS 25 -9.392 0.725 -4.199
164 HE3 LYS 25 2HE LYS 25 -8.677 2.255 -4.704
165 HZ1 LYS 25 3HZ LYS 25 -8.875 1.635 -6.804
166 HZ2 LYS 25 1HZ LYS 25 -9.623 0.197 -6.320
167 HZ3 LYS 25 2HZ LYS 25 -7.946 0.248 -6.532
168 H SER 26 H SER 26 -8.339 3.749 0.234
169 HA SER 26 HA SER 26 -6.472 5.787 -0.117
170 HB2 SER 26 1HB SER 26 -8.953 5.517 1.548
171 HB3 SER 26 2HB SER 26 -7.941 6.952 1.712
172 HG SER 26 HG SER 26 -9.708 6.999 0.094
173 H TYR 27 H TYR 27 -6.968 3.586 2.552
174 HA TYR 27 HA TYR 27 -5.299 5.012 4.394
175 HB2 TYR 27 1HB TYR 27 -7.188 3.193 4.796
176 HB3 TYR 27 2HB TYR 27 -5.820 2.090 4.705
177 HD1 TYR 27 HD2 TYR 27 -6.027 5.510 6.172
178 HD2 TYR 27 HD1 TYR 27 -5.476 1.352 6.885
179 HE1 TYR 27 HE2 TYR 27 -5.490 5.990 8.524
180 HE2 TYR 27 HE1 TYR 27 -4.938 1.820 9.239
181 HH TYR 27 HH TYR 27 -4.256 4.927 10.385
182 H LEU 28 H LEU 28 -4.827 2.557 1.970
183 HA LEU 28 HA LEU 28 -2.151 1.913 2.879
184 HB2 LEU 28 1HB LEU 28 -3.168 0.053 1.975
185 HB3 LEU 28 2HB LEU 28 -3.945 0.974 0.689
186 HG LEU 28 HG LEU 28 -1.664 1.224 -0.355
187 HD11 LEU 28 1HD1 LEU 28 -0.824 -1.096 1.327
188 HD12 LEU 28 2HD1 LEU 28 -0.567 0.552 1.900
189 HD13 LEU 28 3HD1 LEU 28 0.160 0.022 0.383
190 HD21 LEU 28 3HD2 LEU 28 -3.542 -0.740 -0.594
191 HD22 LEU 28 1HD2 LEU 28 -2.077 -1.672 -0.284
192 HD23 LEU 28 2HD2 LEU 28 -2.136 -0.548 -1.642
193 H ILE 29 H ILE 29 -3.700 3.929 0.493
194 HA ILE 29 HA ILE 29 -1.420 4.425 -1.119
195 HB ILE 29 HB ILE 29 -3.944 6.026 -0.711
196 HG12 ILE 29 1HG1 ILE 29 -3.209 4.634 -3.246
197 HG13 ILE 29 2HG1 ILE 29 -3.761 3.652 -1.893
198 HG21 ILE 29 1HG2 ILE 29 -1.520 6.575 -2.345
199 HG22 ILE 29 2HG2 ILE 29 -3.098 6.984 -3.016
200 HG23 ILE 29 3HG2 ILE 29 -2.581 7.691 -1.485
201 HD11 ILE 29 3HD1 ILE 29 -5.579 4.225 -3.411
202 HD12 ILE 29 1HD1 ILE 29 -5.833 4.909 -1.805
203 HD13 ILE 29 2HD1 ILE 29 -5.278 5.939 -3.125
204 H ILE 30 H ILE 30 -2.713 5.928 1.781
205 HA ILE 30 HA ILE 30 -1.023 8.214 1.732
206 HB ILE 30 HB ILE 30 -1.662 8.507 4.092
207 HG12 ILE 30 1HG1 ILE 30 -3.464 6.130 3.923
208 HG13 ILE 30 2HG1 ILE 30 -1.772 5.874 4.337
209 HG21 ILE 30 1HG2 ILE 30 -3.149 9.428 2.492
210 HG22 ILE 30 2HG2 ILE 30 -3.855 7.851 2.140
211 HG23 ILE 30 3HG2 ILE 30 -4.148 8.620 3.700
212 HD11 ILE 30 3HD1 ILE 30 -1.976 6.871 6.364
213 HD12 ILE 30 1HD1 ILE 30 -3.254 7.961 5.827
214 HD13 ILE 30 2HD1 ILE 30 -3.623 6.270 6.173
215 H HIS 31 H HIS 31 -0.511 4.937 2.556
216 HA HIS 31 HA HIS 31 1.823 5.532 4.208
217 HB2 HIS 31 1HB HIS 31 0.813 3.740 5.208
218 HB3 HIS 31 2HB HIS 31 0.149 3.131 3.695
219 HD1 HIS 31 HD1 HIS 31 2.614 2.344 6.147
220 HD2 HIS 31 HD2 HIS 31 2.371 1.969 2.016
221 HE1 HIS 31 HE1 HIS 31 4.344 0.628 5.525
222 H THR 32 H THR 32 0.973 4.065 1.112
223 HA THR 32 HA THR 32 3.455 3.079 0.355
224 HB THR 32 HB THR 32 1.222 2.827 -0.866
225 HG1 THR 32 HG1 THR 32 3.444 2.238 -1.641
226 HG21 THR 32 3HG2 THR 32 1.926 4.980 -2.712
227 HG22 THR 32 1HG2 THR 32 1.405 5.557 -1.129
228 HG23 THR 32 2HG2 THR 32 0.352 4.505 -2.076
229 H ARG 33 H ARG 33 2.284 6.356 0.448
230 HA ARG 33 HA ARG 33 4.311 7.468 -1.230
231 HB2 ARG 33 1HB ARG 33 3.532 9.641 -0.326
232 HB3 ARG 33 2HB ARG 33 2.219 8.646 -0.942
233 HG2 ARG 33 1HG ARG 33 1.830 7.908 1.442
234 HG3 ARG 33 2HG ARG 33 2.943 9.191 1.920
235 HD2 ARG 33 1HD ARG 33 0.594 9.756 0.145
236 HD3 ARG 33 2HD ARG 33 0.413 9.689 1.898
237 HE ARG 33 HE ARG 33 2.514 11.429 0.935
238 HH11 ARG 33 1HH1 ARG 33 -0.813 11.140 1.916
239 HH12 ARG 33 2HH1 ARG 33 -0.989 12.825 2.279
240 HH21 ARG 33 1HH2 ARG 33 2.296 13.649 1.409
241 HH22 ARG 33 2HH2 ARG 33 0.780 14.252 1.989
242 H THR 34 H THR 34 4.007 6.787 2.184
243 HA THR 34 HA THR 34 6.137 8.383 3.115
244 HB THR 34 HB THR 34 6.057 7.113 5.142
245 HG1 THR 34 HG1 THR 34 5.555 5.049 5.162
246 HG21 THR 34 3HG2 THR 34 3.342 7.394 3.862
247 HG22 THR 34 1HG2 THR 34 4.160 8.541 4.922
248 HG23 THR 34 2HG2 THR 34 3.575 7.007 5.567
249 H HIS 35 H HIS 35 6.046 5.343 1.469
250 HA HIS 35 HA HIS 35 8.500 4.250 2.256
251 HB2 HIS 35 1HB HIS 35 6.695 3.934 -0.087
252 HB3 HIS 35 2HB HIS 35 8.342 3.334 -0.253
253 HD1 HIS 35 HD1 HIS 35 9.010 1.810 2.075
254 HD2 HIS 35 HD2 HIS 35 5.066 1.977 0.781
255 HE1 HIS 35 HE1 HIS 35 7.886 -0.200 3.085
256 H THR 36 H THR 36 7.750 6.887 0.147
257 HA THR 36 HA THR 36 9.038 8.089 -1.352
258 HB THR 36 HB THR 36 10.817 9.271 -0.258
259 HG1 THR 36 HG1 THR 36 10.941 6.943 1.286
260 HG21 THR 36 3HG2 THR 36 8.507 9.711 0.532
261 HG22 THR 36 1HG2 THR 36 9.727 10.024 1.766
262 HG23 THR 36 2HG2 THR 36 8.762 8.550 1.835
263 H GLY 37 H GLY 37 9.338 5.405 -1.976
264 HA2 GLY 37 1HA GLY 37 10.790 4.520 -3.654
265 HA3 GLY 37 2HA GLY 37 12.122 5.399 -2.917
266 H GLU 38 H GLU 38 11.025 2.404 -3.445
267 HA GLU 38 HA GLU 38 12.194 1.368 -0.946
268 HB2 GLU 38 1HB GLU 38 9.808 0.480 -2.507
269 HB3 GLU 38 2HB GLU 38 10.756 -0.732 -1.657
270 HG2 GLU 38 1HG GLU 38 9.699 1.719 -0.289
271 HG3 GLU 38 2HG GLU 38 8.755 0.238 -0.441
272 H SER 39 H SER 39 14.148 0.578 -1.329
273 HA SER 39 HA SER 39 15.014 -0.202 -3.939
274 HB2 SER 39 1HB SER 39 16.385 -0.607 -1.270
275 HB3 SER 39 2HB SER 39 17.143 -0.731 -2.857
276 HG SER 39 HG SER 39 16.510 1.492 -1.376
277 H GLY 40 H GLY 40 14.951 -2.145 -4.870
278 HA2 GLY 40 1HA GLY 40 15.122 -4.590 -3.402
279 HA3 GLY 40 2HA GLY 40 13.478 -4.276 -3.938
280 HA PRO 41 HA PRO 41 16.255 -6.212 -7.310
281 HB2 PRO 41 1HB PRO 41 15.435 -8.793 -7.110
282 HB3 PRO 41 2HB PRO 41 16.825 -8.155 -6.224
283 HG2 PRO 41 1HG PRO 41 14.020 -8.605 -5.280
284 HG3 PRO 41 2HG PRO 41 15.549 -8.958 -4.454
285 HD2 PRO 41 1HD PRO 41 14.063 -6.766 -3.892
286 HD3 PRO 41 2HD PRO 41 15.835 -6.773 -3.778
287 H SER 42 H SER 42 13.064 -5.747 -6.483
288 HA SER 42 HA SER 42 11.677 -7.132 -8.505
289 HB2 SER 42 1HB SER 42 10.547 -6.162 -6.550
290 HB3 SER 42 2HB SER 42 10.938 -4.540 -7.122
291 HG SER 42 HG SER 42 9.714 -5.116 -9.051
292 H SER 43 H SER 43 12.586 -6.928 -10.511
293 HA SER 43 HA SER 43 13.670 -4.723 -11.723
294 HB2 SER 43 1HB SER 43 12.280 -7.155 -12.744
295 HB3 SER 43 2HB SER 43 12.591 -5.847 -13.885
296 HG SER 43 HG SER 43 14.314 -7.645 -12.816
297 H GLY 44 H GLY 44 10.248 -5.688 -11.725
298 HA2 GLY 44 1HA GLY 44 8.539 -3.992 -11.493
299 HA3 GLY 44 2HA GLY 44 9.575 -2.896 -12.395
Start of MODEL 20
1 H1 GLY 1 H GLY 1 16.283 -23.765 -6.463
2 HA2 GLY 1 1HA GLY 1 15.079 -22.548 -4.516
3 HA3 GLY 1 2HA GLY 1 16.780 -22.185 -4.766
4 H SER 2 H SER 2 15.711 -20.246 -3.522
5 HA SER 2 HA SER 2 15.253 -18.018 -3.523
6 HB2 SER 2 1HB SER 2 16.263 -18.370 -6.340
7 HB3 SER 2 2HB SER 2 15.734 -16.799 -5.739
8 HG SER 2 HG SER 2 18.043 -17.332 -5.510
9 H SER 3 H SER 3 13.082 -19.723 -3.797
10 HA SER 3 HA SER 3 11.182 -17.940 -5.070
11 HB2 SER 3 1HB SER 3 11.274 -20.864 -5.848
12 HB3 SER 3 2HB SER 3 10.128 -19.657 -6.429
13 HG SER 3 HG SER 3 12.664 -20.190 -7.267
14 H GLY 4 H GLY 4 9.419 -17.752 -3.843
15 HA2 GLY 4 1HA GLY 4 8.502 -20.012 -2.241
16 HA3 GLY 4 2HA GLY 4 9.010 -18.580 -1.357
17 H SER 5 H SER 5 6.682 -19.848 -3.666
18 HA SER 5 HA SER 5 4.728 -17.916 -2.699
19 HB2 SER 5 1HB SER 5 5.963 -17.107 -4.865
20 HB3 SER 5 2HB SER 5 4.928 -18.287 -5.669
21 HG SER 5 HG SER 5 4.307 -15.833 -4.842
22 H SER 6 H SER 6 3.042 -19.083 -2.091
23 HA SER 6 HA SER 6 1.881 -21.037 -3.877
24 HB2 SER 6 1HB SER 6 3.713 -22.138 -2.331
25 HB3 SER 6 2HB SER 6 2.438 -22.052 -1.116
26 HG SER 6 HG SER 6 2.209 -23.280 -3.666
27 H GLY 7 H GLY 7 -0.286 -21.140 -3.648
28 HA2 GLY 7 1HA GLY 7 -2.080 -21.194 -1.820
29 HA3 GLY 7 2HA GLY 7 -1.444 -19.608 -1.412
30 H THR 8 H THR 8 -4.023 -19.623 -1.906
31 HA THR 8 HA THR 8 -4.272 -18.601 -4.661
32 HB THR 8 HB THR 8 -6.508 -19.838 -3.048
33 HG1 THR 8 HG1 THR 8 -5.332 -21.058 -5.303
34 HG21 THR 8 3HG2 THR 8 -6.718 -18.122 -5.120
35 HG22 THR 8 1HG2 THR 8 -7.885 -19.401 -4.791
36 HG23 THR 8 2HG2 THR 8 -6.618 -19.651 -5.991
37 H GLY 9 H GLY 9 -5.433 -16.707 -4.978
38 HA2 GLY 9 1HA GLY 9 -6.920 -14.979 -4.188
39 HA3 GLY 9 2HA GLY 9 -6.380 -15.326 -2.553
40 H MET 10 H MET 10 -6.455 -12.759 -3.867
41 HA MET 10 HA MET 10 -3.576 -12.131 -3.841
42 HB2 MET 10 1HB MET 10 -4.064 -10.271 -5.389
43 HB3 MET 10 2HB MET 10 -4.446 -11.838 -6.088
44 HG2 MET 10 1HG MET 10 -6.839 -11.402 -5.328
45 HG3 MET 10 2HG MET 10 -6.325 -9.735 -5.077
46 HE1 MET 10 3HE MET 10 -5.812 -12.606 -7.382
47 HE2 MET 10 1HE MET 10 -7.338 -12.321 -8.219
48 HE3 MET 10 2HE MET 10 -5.811 -11.936 -9.014
49 H LYS 11 H LYS 11 -2.922 -10.643 -2.413
50 HA LYS 11 HA LYS 11 -4.415 -9.799 -0.279
51 HB2 LYS 11 1HB LYS 11 -1.890 -8.889 -1.534
52 HB3 LYS 11 2HB LYS 11 -2.650 -7.764 -0.416
53 HG2 LYS 11 1HG LYS 11 -1.274 -8.924 0.995
54 HG3 LYS 11 2HG LYS 11 -2.766 -9.853 1.149
55 HD2 LYS 11 1HD LYS 11 -1.083 -11.464 0.864
56 HD3 LYS 11 2HD LYS 11 -1.841 -11.323 -0.723
57 HE2 LYS 11 1HE LYS 11 0.043 -9.511 -1.077
58 HE3 LYS 11 2HE LYS 11 0.849 -10.432 0.192
59 HZ1 LYS 11 3HZ LYS 11 1.558 -11.409 -1.781
60 HZ2 LYS 11 1HZ LYS 11 0.025 -11.341 -2.495
61 HZ3 LYS 11 2HZ LYS 11 0.331 -12.446 -1.252
62 HA PRO 12 HA PRO 12 -7.176 -6.740 -1.861
63 HB2 PRO 12 1HB PRO 12 -7.858 -5.588 0.501
64 HB3 PRO 12 2HB PRO 12 -8.461 -7.171 -0.005
65 HG2 PRO 12 1HG PRO 12 -6.218 -6.507 1.863
66 HG3 PRO 12 2HG PRO 12 -7.482 -7.740 2.026
67 HD2 PRO 12 1HD PRO 12 -4.969 -8.328 1.206
68 HD3 PRO 12 2HD PRO 12 -6.394 -9.219 0.632
69 H TYR 13 H TYR 13 -6.165 -4.949 0.933
70 HA TYR 13 HA TYR 13 -4.906 -2.962 -0.837
71 HB2 TYR 13 1HB TYR 13 -5.764 -2.202 1.904
72 HB3 TYR 13 2HB TYR 13 -5.824 -1.276 0.408
73 HD1 TYR 13 HD2 TYR 13 -7.470 -4.087 2.203
74 HD2 TYR 13 HD1 TYR 13 -7.830 -1.074 -0.779
75 HE1 TYR 13 HE2 TYR 13 -9.870 -4.583 2.000
76 HE2 TYR 13 HE1 TYR 13 -10.232 -1.562 -0.990
77 HH TYR 13 HH TYR 13 -11.694 -3.889 -0.420
78 H VAL 14 H VAL 14 -3.750 -5.370 0.631
79 HA VAL 14 HA VAL 14 -2.017 -4.289 2.641
80 HB VAL 14 HB VAL 14 -1.817 -6.916 1.161
81 HG11 VAL 14 1HG1 VAL 14 0.111 -7.202 2.223
82 HG12 VAL 14 2HG1 VAL 14 -0.056 -5.629 3.006
83 HG13 VAL 14 3HG1 VAL 14 -0.739 -7.069 3.762
84 HG21 VAL 14 3HG2 VAL 14 -3.857 -7.054 2.249
85 HG22 VAL 14 1HG2 VAL 14 -2.748 -7.724 3.445
86 HG23 VAL 14 2HG2 VAL 14 -3.318 -6.062 3.604
87 H CYS 15 H CYS 15 0.004 -3.510 2.455
88 HA CYS 15 HA CYS 15 0.973 -2.628 -0.031
89 HB2 CYS 15 1HB CYS 15 1.496 -1.878 2.457
90 HB3 CYS 15 2HB CYS 15 2.850 -2.986 2.262
91 H ASN 16 H ASN 16 1.868 -3.771 -1.603
92 HA ASN 16 HA ASN 16 2.852 -6.437 -1.142
93 HB2 ASN 16 1HB ASN 16 2.526 -4.700 -3.574
94 HB3 ASN 16 2HB ASN 16 3.428 -6.211 -3.662
95 HD21 ASN 16 1HD2 ASN 16 2.299 -8.165 -2.980
96 HD22 ASN 16 2HD2 ASN 16 0.598 -8.283 -3.260
97 H GLU 17 H GLU 17 4.224 -3.767 -0.252
98 HA GLU 17 HA GLU 17 6.897 -4.413 -1.304
99 HB2 GLU 17 1HB GLU 17 5.988 -1.835 -0.014
100 HB3 GLU 17 2HB GLU 17 7.549 -2.139 -0.765
101 HG2 GLU 17 1HG GLU 17 6.016 -2.696 -2.851
102 HG3 GLU 17 2HG GLU 17 4.913 -1.611 -2.007
103 H CYS 18 H CYS 18 5.144 -3.489 1.640
104 HA CYS 18 HA CYS 18 7.335 -4.672 3.218
105 HB2 CYS 18 1HB CYS 18 6.509 -3.215 5.088
106 HB3 CYS 18 2HB CYS 18 7.179 -2.331 3.721
107 H GLY 19 H GLY 19 3.880 -4.511 2.691
108 HA2 GLY 19 1HA GLY 19 2.608 -6.557 3.039
109 HA3 GLY 19 2HA GLY 19 3.582 -6.846 4.473
110 H LYS 20 H LYS 20 2.907 -3.606 4.342
111 HA LYS 20 HA LYS 20 1.340 -3.560 6.636
112 HB2 LYS 20 1HB LYS 20 2.631 -1.670 5.276
113 HB3 LYS 20 2HB LYS 20 1.015 -1.360 4.653
114 HG2 LYS 20 1HG LYS 20 1.372 0.079 6.511
115 HG3 LYS 20 2HG LYS 20 0.223 -1.165 7.009
116 HD2 LYS 20 1HD LYS 20 1.883 -0.762 8.751
117 HD3 LYS 20 2HD LYS 20 2.034 -2.397 8.103
118 HE2 LYS 20 1HE LYS 20 3.972 -1.853 6.892
119 HE3 LYS 20 2HE LYS 20 3.693 -0.120 7.062
120 HZ1 LYS 20 3HZ LYS 20 3.959 -1.495 9.574
121 HZ2 LYS 20 1HZ LYS 20 4.714 -0.082 9.029
122 HZ3 LYS 20 2HZ LYS 20 5.346 -1.595 8.610
123 H ALA 21 H ALA 21 -0.570 -4.548 6.822
124 HA ALA 21 HA ALA 21 -2.446 -4.570 4.597
125 HB1 ALA 21 3HB ALA 21 -3.704 -5.821 6.698
126 HB2 ALA 21 1HB ALA 21 -2.752 -6.613 5.441
127 HB3 ALA 21 2HB ALA 21 -2.001 -6.184 6.979
128 H PHE 22 H PHE 22 -4.016 -3.127 4.380
129 HA PHE 22 HA PHE 22 -4.868 -1.612 6.759
130 HB2 PHE 22 1HB PHE 22 -5.026 -0.641 3.904
131 HB3 PHE 22 2HB PHE 22 -5.252 0.300 5.375
132 HD1 PHE 22 HD1 PHE 22 -2.753 -1.493 3.332
133 HD2 PHE 22 HD2 PHE 22 -3.424 1.283 6.488
134 HE1 PHE 22 HE1 PHE 22 -0.368 -0.889 3.304
135 HE2 PHE 22 HE2 PHE 22 -1.041 1.892 6.464
136 HZ PHE 22 HZ PHE 22 0.491 0.806 4.870
137 H ARG 23 H ARG 23 -7.123 -0.529 6.241
138 HA ARG 23 HA ARG 23 -8.930 -2.746 5.753
139 HB2 ARG 23 1HB ARG 23 -9.366 0.070 6.752
140 HB3 ARG 23 2HB ARG 23 -10.676 -1.072 6.485
141 HG2 ARG 23 1HG ARG 23 -9.760 -2.569 8.147
142 HG3 ARG 23 2HG ARG 23 -8.367 -1.508 8.367
143 HD2 ARG 23 1HD ARG 23 -9.745 0.226 9.267
144 HD3 ARG 23 2HD ARG 23 -11.215 -0.653 8.846
145 HE ARG 23 HE ARG 23 -9.470 -2.069 10.646
146 HH11 ARG 23 1HH1 ARG 23 -12.081 0.217 10.371
147 HH12 ARG 23 2HH1 ARG 23 -12.678 -0.074 11.971
148 HH21 ARG 23 1HH2 ARG 23 -10.246 -2.461 12.755
149 HH22 ARG 23 2HH2 ARG 23 -11.633 -1.597 13.326
150 H SER 24 H SER 24 -8.160 0.407 4.371
151 HA SER 24 HA SER 24 -9.627 -0.376 1.949
152 HB2 SER 24 1HB SER 24 -9.727 2.368 3.227
153 HB3 SER 24 2HB SER 24 -10.468 1.923 1.690
154 HG SER 24 HG SER 24 -11.168 0.269 3.755
155 H LYS 25 H LYS 25 -8.812 0.468 0.003
156 HA LYS 25 HA LYS 25 -6.095 0.568 -0.313
157 HB2 LYS 25 1HB LYS 25 -7.952 0.435 -2.090
158 HB3 LYS 25 2HB LYS 25 -7.927 2.193 -2.064
159 HG2 LYS 25 1HG LYS 25 -5.724 2.279 -2.880
160 HG3 LYS 25 2HG LYS 25 -5.454 0.565 -2.556
161 HD2 LYS 25 1HD LYS 25 -5.774 0.811 -4.907
162 HD3 LYS 25 2HD LYS 25 -7.229 0.057 -4.251
163 HE2 LYS 25 1HE LYS 25 -8.441 2.096 -4.374
164 HE3 LYS 25 2HE LYS 25 -6.978 3.021 -4.711
165 HZ1 LYS 25 3HZ LYS 25 -7.608 2.805 -6.830
166 HZ2 LYS 25 1HZ LYS 25 -8.658 1.518 -6.508
167 HZ3 LYS 25 2HZ LYS 25 -7.005 1.228 -6.719
168 H SER 26 H SER 26 -8.293 3.304 0.181
169 HA SER 26 HA SER 26 -6.650 5.444 -0.196
170 HB2 SER 26 1HB SER 26 -9.129 5.246 0.721
171 HB3 SER 26 2HB SER 26 -8.327 5.458 2.278
172 HG SER 26 HG SER 26 -7.260 7.275 0.816
173 H TYR 27 H TYR 27 -6.735 3.307 2.609
174 HA TYR 27 HA TYR 27 -4.865 4.807 4.149
175 HB2 TYR 27 1HB TYR 27 -6.160 2.137 4.357
176 HB3 TYR 27 2HB TYR 27 -4.678 2.389 5.272
177 HD1 TYR 27 HD1 TYR 27 -4.874 5.126 6.187
178 HD2 TYR 27 HD2 TYR 27 -7.928 2.183 5.850
179 HE1 TYR 27 HE1 TYR 27 -6.154 6.261 7.954
180 HE2 TYR 27 HE2 TYR 27 -9.217 3.310 7.615
181 HH TYR 27 HH TYR 27 -9.315 5.028 9.012
182 H LEU 28 H LEU 28 -4.615 2.277 1.757
183 HA LEU 28 HA LEU 28 -1.851 1.697 2.304
184 HB2 LEU 28 1HB LEU 28 -3.003 -0.108 1.405
185 HB3 LEU 28 2HB LEU 28 -3.815 0.887 0.198
186 HG LEU 28 HG LEU 28 -1.624 1.118 -0.978
187 HD11 LEU 28 1HD1 LEU 28 -0.015 -0.821 -0.324
188 HD12 LEU 28 2HD1 LEU 28 -0.788 -0.679 1.254
189 HD13 LEU 28 3HD1 LEU 28 0.046 0.708 0.554
190 HD21 LEU 28 3HD2 LEU 28 -1.805 -1.729 -1.078
191 HD22 LEU 28 1HD2 LEU 28 -2.385 -0.537 -2.241
192 HD23 LEU 28 2HD2 LEU 28 -3.426 -1.051 -0.913
193 H ILE 29 H ILE 29 -3.639 3.813 0.181
194 HA ILE 29 HA ILE 29 -1.473 4.439 -1.561
195 HB ILE 29 HB ILE 29 -4.004 5.983 -0.985
196 HG12 ILE 29 1HG1 ILE 29 -3.492 4.458 -3.503
197 HG13 ILE 29 2HG1 ILE 29 -3.955 3.563 -2.059
198 HG21 ILE 29 1HG2 ILE 29 -2.775 6.408 -3.575
199 HG22 ILE 29 2HG2 ILE 29 -3.337 7.581 -2.386
200 HG23 ILE 29 3HG2 ILE 29 -1.718 6.896 -2.250
201 HD11 ILE 29 3HD1 ILE 29 -5.545 5.890 -3.082
202 HD12 ILE 29 1HD1 ILE 29 -5.809 4.238 -3.638
203 HD13 ILE 29 2HD1 ILE 29 -6.035 4.642 -1.936
204 H ILE 30 H ILE 30 -2.854 5.996 1.308
205 HA ILE 30 HA ILE 30 -1.104 8.239 1.251
206 HB ILE 30 HB ILE 30 -1.876 8.671 3.542
207 HG12 ILE 30 1HG1 ILE 30 -3.814 7.016 4.245
208 HG13 ILE 30 2HG1 ILE 30 -2.901 5.876 3.263
209 HG21 ILE 30 1HG2 ILE 30 -4.477 8.062 2.538
210 HG22 ILE 30 2HG2 ILE 30 -3.648 9.617 2.603
211 HG23 ILE 30 3HG2 ILE 30 -3.444 8.568 1.201
212 HD11 ILE 30 3HD1 ILE 30 -1.139 7.280 5.033
213 HD12 ILE 30 1HD1 ILE 30 -2.472 6.561 5.935
214 HD13 ILE 30 2HD1 ILE 30 -1.458 5.551 4.904
215 H HIS 31 H HIS 31 -0.653 4.999 2.115
216 HA HIS 31 HA HIS 31 1.526 5.577 3.972
217 HB2 HIS 31 1HB HIS 31 0.429 3.765 4.847
218 HB3 HIS 31 2HB HIS 31 -0.069 3.167 3.267
219 HD1 HIS 31 HD1 HIS 31 2.445 2.703 5.886
220 HD2 HIS 31 HD2 HIS 31 2.028 1.735 1.867
221 HE1 HIS 31 HE1 HIS 31 4.178 0.936 5.436
222 H THR 32 H THR 32 1.031 3.697 0.983
223 HA THR 32 HA THR 32 3.528 2.882 0.375
224 HB THR 32 HB THR 32 1.494 2.587 -1.071
225 HG1 THR 32 HG1 THR 32 3.334 1.870 -2.010
226 HG21 THR 32 3HG2 THR 32 1.446 4.389 -2.960
227 HG22 THR 32 1HG2 THR 32 2.160 5.428 -1.728
228 HG23 THR 32 2HG2 THR 32 0.587 4.682 -1.449
229 H ARG 33 H ARG 33 2.422 6.173 0.433
230 HA ARG 33 HA ARG 33 4.617 7.263 -1.048
231 HB2 ARG 33 1HB ARG 33 3.785 9.445 -0.181
232 HB3 ARG 33 2HB ARG 33 2.548 8.490 -0.987
233 HG2 ARG 33 1HG ARG 33 1.742 7.741 1.229
234 HG3 ARG 33 2HG ARG 33 2.921 8.817 1.982
235 HD2 ARG 33 1HD ARG 33 0.726 9.864 1.895
236 HD3 ARG 33 2HD ARG 33 1.875 10.733 0.879
237 HE ARG 33 HE ARG 33 0.294 8.754 -0.505
238 HH11 ARG 33 1HH1 ARG 33 0.540 12.075 0.508
239 HH12 ARG 33 2HH1 ARG 33 -0.541 12.664 -0.711
240 HH21 ARG 33 1HH2 ARG 33 -1.131 9.516 -2.115
241 HH22 ARG 33 2HH2 ARG 33 -1.492 11.207 -2.202
242 H THR 34 H THR 34 3.838 6.876 2.378
243 HA THR 34 HA THR 34 5.842 8.342 3.557
244 HB THR 34 HB THR 34 5.671 6.908 5.489
245 HG1 THR 34 HG1 THR 34 4.225 4.944 5.097
246 HG21 THR 34 3HG2 THR 34 3.368 7.908 4.075
247 HG22 THR 34 1HG2 THR 34 3.697 7.897 5.807
248 HG23 THR 34 2HG2 THR 34 2.935 6.501 5.045
249 H HIS 35 H HIS 35 6.072 5.250 1.940
250 HA HIS 35 HA HIS 35 8.433 4.215 2.831
251 HB2 HIS 35 1HB HIS 35 7.157 4.279 0.124
252 HB3 HIS 35 2HB HIS 35 8.768 3.587 0.298
253 HD1 HIS 35 HD1 HIS 35 8.902 1.231 1.126
254 HD2 HIS 35 HD2 HIS 35 5.145 2.905 1.713
255 HE1 HIS 35 HE1 HIS 35 7.444 -0.654 1.926
256 H THR 36 H THR 36 7.978 7.002 0.757
257 HA THR 36 HA THR 36 10.809 7.280 0.221
258 HB THR 36 HB THR 36 10.182 9.346 -0.965
259 HG1 THR 36 HG1 THR 36 7.777 8.874 0.368
260 HG21 THR 36 3HG2 THR 36 8.105 7.523 -1.970
261 HG22 THR 36 1HG2 THR 36 9.693 6.788 -1.753
262 HG23 THR 36 2HG2 THR 36 9.511 8.203 -2.790
263 H GLY 37 H GLY 37 10.403 7.250 2.940
264 HA2 GLY 37 1HA GLY 37 11.886 9.193 4.006
265 HA3 GLY 37 2HA GLY 37 10.331 10.002 3.885
266 H GLU 38 H GLU 38 11.428 6.758 4.888
267 HA GLU 38 HA GLU 38 9.663 6.990 7.225
268 HB2 GLU 38 1HB GLU 38 9.827 4.541 7.372
269 HB3 GLU 38 2HB GLU 38 9.223 5.060 5.804
270 HG2 GLU 38 1HG GLU 38 11.674 4.867 5.042
271 HG3 GLU 38 2HG GLU 38 11.892 3.911 6.507
272 H SER 39 H SER 39 12.949 6.087 6.264
273 HA SER 39 HA SER 39 13.965 6.975 8.817
274 HB2 SER 39 1HB SER 39 13.237 4.435 8.911
275 HB3 SER 39 2HB SER 39 14.773 4.191 8.079
276 HG SER 39 HG SER 39 15.682 4.403 9.949
277 H GLY 40 H GLY 40 15.703 8.135 8.344
278 HA2 GLY 40 1HA GLY 40 17.034 7.843 5.802
279 HA3 GLY 40 2HA GLY 40 17.405 9.026 7.047
280 HA PRO 41 HA PRO 41 21.059 6.778 7.969
281 HB2 PRO 41 1HB PRO 41 21.455 7.564 10.538
282 HB3 PRO 41 2HB PRO 41 21.732 8.628 9.154
283 HG2 PRO 41 1HG PRO 41 19.368 8.477 10.985
284 HG3 PRO 41 2HG PRO 41 20.202 9.908 10.350
285 HD2 PRO 41 1HD PRO 41 17.879 8.992 9.303
286 HD3 PRO 41 2HD PRO 41 19.120 9.793 8.318
287 H SER 42 H SER 42 19.994 4.682 7.845
288 HA SER 42 HA SER 42 19.687 3.464 10.507
289 HB2 SER 42 1HB SER 42 17.491 3.823 9.235
290 HB3 SER 42 2HB SER 42 18.067 2.587 8.117
291 HG SER 42 HG SER 42 17.994 1.093 9.714
292 H SER 43 H SER 43 20.088 1.135 10.545
293 HA SER 43 HA SER 43 22.512 0.437 9.378
294 HB2 SER 43 1HB SER 43 21.524 -0.647 11.395
295 HB3 SER 43 2HB SER 43 20.376 -1.478 10.346
296 HG SER 43 HG SER 43 22.174 -2.794 10.788
297 H GLY 44 H GLY 44 23.081 -0.988 7.702
298 HA2 GLY 44 1HA GLY 44 21.366 -0.831 5.404
299 HA3 GLY 44 2HA GLY 44 22.950 -1.587 5.474